Compound characterization data

Dae Won Kim, Jiachen He, Tristan A. Pitt, Jung-Hoon Lee, Priyadarshini Baidya, S. Alexandra Lim, Daniel T. Nakamura, Erika L. Buckle, R. Matthew Weekly, Johnny W. Lee, Truong N. Nguyen, Phillip J. Milner. “Transforming the greenhouse gas fluoroform into a bench-stable reagent for trifluoromethylation using an aluminum-based metal-organic framework.” ChemRxiv (2026). https://doi.org/10.26434/chemrxiv.15007820/v1

Mg₂(dobdc)
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 1491 m² g⁻¹; total pore volume = 0.65 cm³ g⁻¹; dominant pore width = 10.2 Å; image data were not transcribed
CHF₃ uptake (298 K)	3.4 mmol g⁻¹ at 0.1 bar; 6.07 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −40 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 1.31 mmol g⁻¹; b₁ = 0.056 R; c₁ = 0.012 kJ mol⁻¹; a₂ = 5.59 mmol g⁻¹; b₂ = 0.004 R; c₂ = 8.224 kJ mol⁻¹; R² = 0.999943
DSLF fit, 308 K	a₁ = 2.53 mmol g⁻¹; b₁ = 7.249 R; c₁ = 6.823 kJ mol⁻¹; a₂ = 3.38 mmol g⁻¹; b₂ = 8.025 R; c₂ = 9.465 kJ mol⁻¹; R² = 0.999935
DSLF fit, 318 K	a₁ = 2.09 mmol g⁻¹; b₁ = 1.714 R; c₁ = 9.287 kJ mol⁻¹; a₂ = 4.52 mmol g⁻¹; b₂ = 13.651 R; c₂ = 1.237 kJ mol⁻¹; R² = 0.999899

Ni₂(m-dobdc)
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 1126 m² g⁻¹; total pore volume = 0.50 cm³ g⁻¹; dominant pore width = 11.6 Å; image data were not transcribed
CHF₃ uptake (298 K)	1.89 mmol g⁻¹ at 0.1 bar; 5.13 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −35 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 1.97 mmol g⁻¹; b₁ = 0.050 R; c₁ = 3.712 kJ mol⁻¹; a₂ = 4.32 mmol g⁻¹; b₂ = 0.003 R; c₂ = 3.595 kJ mol⁻¹; R² = 0.999521
DSLF fit, 308 K	a₁ = 2.47 mmol g⁻¹; b₁ = 9.681 R; c₁ = 27.277 kJ mol⁻¹; a₂ = 4.70 mmol g⁻¹; b₂ = 11.337 R; c₂ = 6.878 kJ mol⁻¹; R² = 0.999277
DSLF fit, 318 K	a₁ = 3.181 mmol g⁻¹; b₁ = 0.028 R; c₁ = 1.382 kJ mol⁻¹; a₂ = 3.51 mmol g⁻¹; b₂ = 0.106 R; c₂ = 1.626 kJ mol⁻¹; R² = 0.999420

Mg₂(dobpdc)
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 3033 m² g⁻¹; total pore volume = 1.29 cm³ g⁻¹; dominant pore width = 18.4 Å; image data were not transcribed
CHF₃ uptake (298 K)	1.48 mmol g⁻¹ at 0.1 bar; 4.92 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −37 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 2.51 mmol g⁻¹; b₁ = 1.632 R; c₁ = 6.602 kJ mol⁻¹; a₂ = 3.45 mmol g⁻¹; b₂ = 0.249 R; c₂ = 3.593 kJ mol⁻¹; R² = 0.999948
DSLF fit, 308 K	a₁ = 1.35 mmol g⁻¹; b₁ = 0.548 R; c₁ = 0.121 kJ mol⁻¹; a₂ = 2.83 mmol g⁻¹; b₂ = 0.629 R; c₂ = 4.979 kJ mol⁻¹; R² = 0.999967
DSLF fit, 318 K	a₁ = 1.44 mmol g⁻¹; b₁ = 1.469 R; c₁ = 2.481 kJ mol⁻¹; a₂ = 2.16 mmol g⁻¹; b₂ = 0.026 R; c₂ = 2.63 kJ mol⁻¹; R² = 0.999997

CAU-10-H
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 600 m² g⁻¹; total pore volume = 0.24 cm³ g⁻¹; dominant pore width = 6.2 Å; image data were not transcribed
CHF₃ adsorption performance and textural properties (25 °C; 77 K N₂)	CHF₃ uptake = 0.83 mmol g⁻¹ at 0.1 bar and 3.3 mmol g⁻¹ at 1 bar; −ΔHads = 30 kJ mol⁻¹; BET surface area = 600 m² g⁻¹; pore volume = 0.24 cm³ g⁻¹; pore size = 6.29 Å
CHF₃ uptake (298 K)	0.83 mmol g⁻¹ at 0.1 bar; 3.3 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −30 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 1.500 mmol g⁻¹; b₁ = 0.051 R; c₁ = 2.334 kJ mol⁻¹; a₂ = 3.34 mmol g⁻¹; b₂ = 0.003 R; c₂ = 1.622 kJ mol⁻¹; R² = 0.999996
DSLF fit, 308 K	a₁ = 0.73 mmol g⁻¹; b₁ = 10.054 R; c₁ = 26.612 kJ mol⁻¹; a₂ = 1.78 mmol g⁻¹; b₂ = 10.943 R; c₂ = 6.935 kJ mol⁻¹; R² = 0.999977
DSLF fit, 318 K	a₁ = 0.29 mmol g⁻¹; b₁ = 2.160 R; c₁ = 6.589 kJ mol⁻¹; a₂ = 1.54 mmol g⁻¹; b₂ = 4.330 R; c₂ = 1.927 kJ mol⁻¹; R² = 0.999995

MOF-303
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 1200 m² g⁻¹; total pore volume = 0.59 cm³ g⁻¹; dominant pore width = 10.9 Å; image data were not transcribed
CHF₃ uptake (298 K)	1.16 mmol g⁻¹ at 0.1 bar; 5.86 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −30 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 3.02 mmol g⁻¹; b₁ = 0.051 R; c₁ = 0.789 kJ mol⁻¹; a₂ = 5.51 mmol g⁻¹; b₂ = 0.003 R; c₂ = 0.670 kJ mol⁻¹; R² = 0.999751
DSLF fit, 308 K	a₁ = 1.10 mmol g⁻¹; b₁ = 6.412 R; c₁ = 15.988 kJ mol⁻¹; a₂ = 3.74 mmol g⁻¹; b₂ = 12.286 R; c₂ = 6.740 kJ mol⁻¹; R² = 0.999889
DSLF fit, 318 K	a₁ = 1.70 mmol g⁻¹; b₁ = 2.385 R; c₁ = 4.769 kJ mol⁻¹; a₂ = 3.89 mmol g⁻¹; b₂ = 1.374 R; c₂ = 2.098 kJ mol⁻¹; R² = 0.999673

KMF-1
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 1050 m² g⁻¹; total pore volume = 0.41 cm³ g⁻¹; dominant pore width = 6.2 Å; image data were not transcribed
CHF₃ adsorption performance and textural properties (25 °C; 77 K N₂)	CHF₃ uptake = 0.47 mmol g⁻¹ at 0.1 bar and 2.62 mmol g⁻¹ at 1 bar; −ΔHads = 30 kJ mol⁻¹; BET surface area = 1050 m² g⁻¹; pore volume = 0.41 cm³ g⁻¹; pore size = 6.29 Å
CHF₃ uptake (298 K)	0.47 mmol g⁻¹ at 0.1 bar; 2.62 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −30 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 0.45 mmol g⁻¹; b₁ = 3.374 R; c₁ = 19.853 kJ mol⁻¹; a₂ = 4.33 mmol g⁻¹; b₂ = 0.340 R; c₂ = 0.025 kJ mol⁻¹; R² = 0.999951
DSLF fit, 308 K	a₁ = 1.40 mmol g⁻¹; b₁ = 0.546 R; c₁ = 0.599 kJ mol⁻¹; a₂ = 1.89 mmol g⁻¹; b₂ = 0.861 R; c₂ = 0.713 kJ mol⁻¹; R² = 0.999901
DSLF fit, 318 K	a₁ = 0.25 mmol g⁻¹; b₁ = 1.547 R; c₁ = 0.186 kJ mol⁻¹; a₂ = 0.959 mmol g⁻¹; b₂ = 0.513 R; c₂ = 0.771 kJ mol⁻¹; R² = 0.999916

Al-MIL-53-TDC
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 1107 m² g⁻¹; total pore volume = 0.65 cm³ g⁻¹; dominant pore width = 6.3 Å; image data were not transcribed
CHF₃ adsorption performance and textural properties (25 °C; 77 K N₂)	CHF₃ uptake = 0.75 mmol g⁻¹ at 0.1 bar and 4.02 mmol g⁻¹ at 1 bar; −ΔHads = 27 kJ mol⁻¹; BET surface area = 1107 m² g⁻¹; pore volume = 0.65 cm³ g⁻¹; pore size = 6.3 Å
CHF₃ uptake (298 K)	0.75 mmol g⁻¹ at 0.1 bar; 4.02 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −26 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 1.09 mmol g⁻¹; b₁ = 0.051 R; c₁ = 0.612 kJ mol⁻¹; a₂ = 3.41 mmol g⁻¹; b₂ = 0.039 R; c₂ = 0.276 kJ mol⁻¹; R² = 0.999850
DSLF fit, 308 K	a₁ = 1.73 mmol g⁻¹; b₁ = 7.586 R; c₁ = 18.856 kJ mol⁻¹; a₂ = 2.85 mmol g⁻¹; b₂ = 8.244 R; c₂ = 7.317 kJ mol⁻¹; R² = 0.999943
DSLF fit, 318 K	a₁ = 0.28 mmol g⁻¹; b₁ = 0.35 R; c₁ = 22.756 kJ mol⁻¹; a₂ = 2.24 mmol g⁻¹; b₂ = 1.112 R; c₂ = 1.623 kJ mol⁻¹; R² = 0.999997

Al–fum
PXRD (λ = 1.5406 Å)	Broad reflections due to modest crystallinity; image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 1110 m² g⁻¹; total pore volume = 0.67 cm³ g⁻¹; dominant pore width = 6.2 Å; image data were not transcribed
CHF₃ uptake (298 K)	1.16 mmol g⁻¹ at 0.1 bar; 3.33 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −28 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 1.51 mmol g⁻¹; b₁ = 0.037 R; c₁ = 3.624 kJ mol⁻¹; a₂ = 2.27 mmol g⁻¹; b₂ = 0.0382 R; c₂ = 0.34 kJ mol⁻¹; R² = 0.999997
DSLF fit, 308 K	a₁ = 1.57 mmol g⁻¹; b₁ = 23.008 R; c₁ = 1.830 kJ mol⁻¹; a₂ = 2.59 mmol g⁻¹; b₂ = 1.951 R; c₂ = 6.814 kJ mol⁻¹; R² = 0.999993
DSLF fit, 318 K	a₁ = 1.27 mmol g⁻¹; b₁ = 2.274 R; c₁ = 3.294 kJ mol⁻¹; a₂ = 1.70 mmol g⁻¹; b₂ = 0.425 R; c₂ = 2.200 kJ mol⁻¹; R² = 0.999978

Al-MIL-68-Mes
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 1100 m² g⁻¹; total pore volume = 0.46 cm³ g⁻¹; dominant pore width = 7.3 Å; image data were not transcribed
CHF₃ adsorption performance and textural properties (25 °C; 77 K N₂)	CHF₃ uptake = 0.11 mmol g⁻¹ at 0.1 bar and 0.96 mmol g⁻¹ at 1 bar; −ΔHads = 27 kJ mol⁻¹; BET surface area = 1103 m² g⁻¹; pore volume = 0.46 cm³ g⁻¹; pore size = 7.3 Å
CHF₃ uptake (298 K)	0.11 mmol g⁻¹ at 0.1 bar; 0.96 mmol g⁻¹ at 1 bar
CHF₃ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −27 kJ mol⁻¹; image data were not transcribed
DSLF fit, 298 K	a₁ = 0.15 mmol g⁻¹; b₁ = 2.334 R; c₁ = 0.269 kJ mol⁻¹; a₂ = 1.19 mmol g⁻¹; b₂ = 0.004 R; c₂ = 25.301 kJ mol⁻¹; R² = 0.999931
DSLF fit, 308 K	a₁ = 0.78 mmol g⁻¹; b₁ = 10.721 R; c₁ = 22.813 kJ mol⁻¹; a₂ = 1.03 mmol g⁻¹; b₂ = 8.475 R; c₂ = 7.293 kJ mol⁻¹; R² = 0.999938
DSLF fit, 318 K	a₁ = 0.55 mmol g⁻¹; b₁ = 2.660 R; c₁ = 3.792 kJ mol⁻¹; a₂ = 0.90 mmol g⁻¹; b₂ = 4.697 R; c₂ = 1.904 kJ mol⁻¹; R² = 0.999960

MIL-160
PXRD (λ = 1.5406 Å)	Image data were not transcribed
N₂ adsorption (77 K)	BET surface area = 1220 m² g⁻¹; total pore volume = 0.48 cm³ g⁻¹; dominant pore width = 6.2 Å; image data were not transcribed
CHF₃ adsorption performance and textural properties (25 °C; 77 K N₂)	CHF₃ uptake = 3.88 mmol g⁻¹ at 0.1 bar and 5.09 mmol g⁻¹ at 1 bar; −ΔHads = 46 kJ mol⁻¹; BET surface area = 1222 m² g⁻¹; pore volume = 0.48 cm³ g⁻¹; pore size = 6.29 Å
ATR-IR	C=O stretching band at 1668 cm⁻¹ shifted to lower frequency relative to H₂fdc; band at 3691 cm⁻¹ assigned to bridging OH⁻ groups; image data were not transcribed
TGA	Stable to approximately 300 °C; image data were not transcribed
CHF₃ uptake (298 K)	3.88 mmol g⁻¹ at 0.1 bar; 5.09 mmol g⁻¹ at 1 bar; zero-coverage −ΔHads = −46 kJ mol⁻¹
CHF₃ DSLF fit, 298 K	a₁ = 4.00 mmol g⁻¹; b₁ = 0.920 R; c₁ = 12.31 kJ mol⁻¹; a₂ = 1.37 mmol g⁻¹; b₂ = 0.210 R; c₂ = 4.35 kJ mol⁻¹; R² = 0.999959
CHF₃ DSLF fit, 308 K	a₁ = 3.68 mmol g⁻¹; b₁ = 0.489 R; c₁ = 10.313 kJ mol⁻¹; a₂ = 1.49 mmol g⁻¹; b₂ = 0.608 R; c₂ = 5.71 kJ mol⁻¹; R² = 0.999993
CHF₃ DSLF fit, 318 K	a₁ = 3.69 mmol g⁻¹; b₁ = 1.206 R; c₁ = 11.084 kJ mol⁻¹; a₂ = 1.53 mmol g⁻¹; b₂ = 10.180 R; c₂ = 3.04 kJ mol⁻¹; R² = 0.999995
SF₆ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −28 kJ mol⁻¹; image data were not transcribed
SF₆ DSLF fit, 298 K	a₁ = 1.17 mmol g⁻¹; b₁ = 0.85 R; c₁ = 7.253 kJ mol⁻¹; a₂ = 1.83 mmol g⁻¹; b₂ = 0.256 R; c₂ = 0.22 kJ mol⁻¹; R² = 0.999999
SF₆ DSLF fit, 308 K	a₁ = 1.13 mmol g⁻¹; b₁ = 0.24 R; c₁ = 4.893 kJ mol⁻¹; a₂ = 1.39 mmol g⁻¹; b₂ = 0.837 R; c₂ = 0.56 kJ mol⁻¹; R² = 0.999999
SF₆ DSLF fit, 318 K	a₁ = 0.61 mmol g⁻¹; b₁ = 1.64 R; c₁ = 3.072 kJ mol⁻¹; a₂ = 0.95 mmol g⁻¹; b₂ = 0.278 R; c₂ = 4.34 kJ mol⁻¹; R² = 0.999996
C₂F₆ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −24 kJ mol⁻¹; image data were not transcribed
C₂F₆ DSLF fit, 298 K	a₁ = 1.25 mmol g⁻¹; b₁ = 1.64 R; c₁ = 3.053 kJ mol⁻¹; a₂ = 1.16 mmol g⁻¹; b₂ = 0.25 R; c₂ = 5.432 kJ mol⁻¹; R² = 0.999999
C₂F₆ DSLF fit, 308 K	a₁ = 1.19 mmol g⁻¹; b₁ = 0.24 R; c₁ = 4.368 kJ mol⁻¹; a₂ = 1.02 mmol g⁻¹; b₂ = 0.85 R; c₂ = 0.560 kJ mol⁻¹; R² = 0.999993
C₂F₆ DSLF fit, 318 K	a₁ = 0.99 mmol g⁻¹; b₁ = 0.92 R; c₁ = 5.462 kJ mol⁻¹; a₂ = 0.93 mmol g⁻¹; b₂ = 0.25 R; c₂ = 0.227 kJ mol⁻¹; R² = 0.999995
CF₄ adsorption isotherms (298, 308 and 318 K)	Zero-coverage −ΔHads = −19 kJ mol⁻¹; image data were not transcribed
CF₄ DSLF fit, 298 K	a₁ = 3.16 mmol g⁻¹; b₁ = 1.02 R; c₁ = 0.408 kJ mol⁻¹; a₂ = 0.04 mmol g⁻¹; b₂ = 0.43 R; c₂ = 0.521 kJ mol⁻¹; R² = 0.999998
CF₄ DSLF fit, 308 K	a₁ = 0.29 mmol g⁻¹; b₁ = 1.04 R; c₁ = 0.131 kJ mol⁻¹; a₂ = 3.18 mmol g⁻¹; b₂ = 1.01 R; c₂ = 0.230 kJ mol⁻¹; R² = 0.999998
CF₄ DSLF fit, 318 K	a₁ = 0.36 mmol g⁻¹; b₁ = 1.01 R; c₁ = 0.029 kJ mol⁻¹; a₂ = 2.81 mmol g⁻¹; b₂ = 1.13 R; c₂ = 0.252 kJ mol⁻¹; R² = 0.999999
Gas uptake (298 K)	CF₄: 0.12 mmol g⁻¹ at 0.1 bar, 0.93 mmol g⁻¹ at 1 bar, −ΔHads = 19 kJ mol⁻¹; CH₄: 0.10 mmol g⁻¹ at 0.1 bar, 0.91 mmol g⁻¹ at 1 bar, −ΔHads = N.d; C₂F₆: 0.55 mmol g⁻¹ at 0.1 bar, 1.51 mmol g⁻¹ at 1 bar, −ΔHads = 24 kJ mol⁻¹; SF₆: 0.64 mmol g⁻¹ at 0.1 bar, 1.80 mmol g⁻¹ at 1 bar, −ΔHads = 28 kJ mol⁻¹; CO₂: 0.87 mmol g⁻¹ at 0.1 bar, 4.18 mmol g⁻¹ at 1 bar, −ΔHads = N.d; N₂: 0.02 mmol g⁻¹ at 0.1 bar, 0.24 mmol g⁻¹ at 1 bar, −ΔHads = N.d

CHF₃–MIL-160
PXRD, final Rietveld refinement (298 K, λ = 1.5418 Å)	Rwp = 4.13 %; no adsorbate-based change in symmetry; image data were not transcribed
PXRD, Rietveld unit-cell and fit parameters (298 K, λ = 1.54175 Å)	Space group = I4₁/amd; a = 21.0814(3) Å; c = 10.6110(2) Å; Rwp = 4.12 %; Rp = 2.90 %; Rexp = 0.40 %; RBragg = 0.86 %; GoF = 10.35; RwpRietveld/RwpPawley = 1.08; GoFRietveld/GoFPawley = 1.06; no adsorbate-based change in symmetry; image data were not transcribed
PXRD, refined binding environment	H···O distances = 2.5–3.4 Å; image data were not transcribed
2D ¹H–¹⁹F HetCor SSNMR (500 MHz ¹H frequency, MAS 15.0 kHz, 15 °C)	Cross-peak at approximately 6.3 ppm in the ¹H dimension and around −80 ppm in the ¹⁹F dimension; contact times = 150, 300 and 500 µs; recycle delay = 3.5 s; image data were not transcribed
¹⁹F NMR, THF extraction, PhCF₃ internal standard	CHF₃ loading = approximately 4.8 mmol g⁻¹; δ 79.2 ppm; 0.1 mmol PhCF₃ and 59.2 mg CHF₃–MIL-160; image data were not transcribed
FT-IR	Additional band at 1127 cm⁻¹ assigned to the C–F stretching mode of CHF₃; the C–H stretching mode of CHF₃ was not observed due to overlap with aromatic C–H vibrations of the fdc²⁻ ligand and the weak nature of the stretch; image data were not transcribed
¹⁹F NMR, loading from 100 mbar CHF₃ (25 °C, 2 h)	CHF₃ uptake = 3.42 mmol g⁻¹; 0.1 mmol PhCF₃ and 57 mg sample; image data were not transcribed
¹⁹F NMR, loading from 5 % CHF₃/N₂ (0 °C, 1 h)	CHF₃ uptake = 3.06 mmol g⁻¹; 0.1 mmol PhCF₃ and 61.8 mg sample; image data were not transcribed
¹⁹F NMR, loading from 10 % CHF₃, 30 % SF₆, 30 % C₂F₆ and 30 % CF₄ (room temperature, 1 h)	CHF₃ = 3.08 mmol g⁻¹; SF₆ = 0.09 mmol g⁻¹; C₂F₆ = 0.07 mmol g⁻¹; CF₄ = 0.01 mmol g⁻¹; 0.1 mmol PhCF₃ and 203.7 mg sample; image data were not transcribed

2a
¹⁹F NMR (376 MHz, CDCl₃)	δ −74.2 (s, 3F)

1,1-bis(4-(dimethylamino)phenyl)-2,2,2-trifluoroethan-1-ol
Identifier	2b
¹H NMR (500 MHz, CDCl₃)	δ 7.33 (d, J = 8.1 Hz, 4H), 6.67 (d, J = 9.0 Hz, 4H), 2.96 (s, 12H), 2.66 (s, 1H)
¹³C NMR (126 MHz, CDCl₃)	δ 150.33, 129.33, 128.56, 128.54, 128.53, 128.51, 127.49, 127.05, 124.77, 122.50, 111.70, 79.61, 79.39, 79.16, 78.93, 40.47
¹⁹F NMR (470 MHz, CDCl₃)	δ −74.63 (s, 3F)
HRMS (DART)	m/z: [M + H]⁺ Calcd. for C₁₈H₂₂F₃N₂O⁺: 339.1679; Found: 339.1678
NMR spectra	Image data were not transcribed

2,2,2-trifluoro-1-phenyl-1-(pyridin-2-yl)ethan-1-ol
Identifier	2c
¹H NMR (500 MHz, CDCl₃)	δ 8.61 (s, 1H), 7.75 (td, J = 7.8, 1.7 Hz, 1H), 7.66 (d, J = 7.5 Hz, 2H), 7.57 – 7.20 (m, 5H), 7.01 (bs, 1H)
¹³C NMR (126 MHz, CDCl₃)	δ 155.05, 147.36, 138.40, 137.60, 128.73, 128.59, 128.38, 128.34, 127.13, 127.11, 127.10, 127.08, 126.27, 124.14, 124.00, 123.08, 121.72, 78.16, 77.93, 77.70
¹⁹F NMR (470 MHz, CDCl₃)	δ −74.72 (s, 3F)
HRMS (DART)	m/z: [M + H]⁺ Calcd. for C₁₃H₁₁F₃NO⁺: 254.0787; Found: 254.0787
NMR spectra	Image data were not transcribed

2,2,2-trifluoro-1-phenylethan-1-ol
Identifier	2d
¹⁹F NMR (470 MHz, CDCl₃)	δ −78.59 (d, J = 7.1 Hz, 3F)

Isopropyl 2-(4-(1-(4-chlorophenyl)-2,2,2-trifluoro-1-hydroxyethyl)phenoxy)-2-methylpropanoate
Identifier	2e
¹H NMR (500 MHz, CDCl₃)	δ 7.40 (d, J = 8.6 Hz, 2H), 7.31 (ddd, J = 8.9, 4.6, 2.2 Hz, 3H), 7.26 (s, 1H), 6.81 – 6.77 (m, 2H), 5.06 (p, J = 6.3 Hz, 1H), 2.81 (s, 1H), 1.60 (s, 6H), 1.19 (dd, J = 6.3, 2.4 Hz, 6H)
¹³C NMR (126 MHz, CDCl₃)	δ 173.51, 156.17, 137.89, 134.86, 132.18, 129.13, 129.12, 129.11, 128.46, 126.38, 124.11, 118.21, 79.32, 79.14, 78.91, 69.22, 25.53, 21.66
¹⁹F NMR (470 MHz, CDCl₃)	δ −74.60 (s, 3F)
HRMS (DART)	m/z: [M − H]⁻ Calcd. for C₂₁H₂₁ClF₃O₄⁻: 429.1080; Found: 429.0954
NMR spectra	Image data were not transcribed

1,7,7-trimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
Identifier	2f
¹H NMR (500 MHz, CDCl₃)	δ 2.00 (s, 1H), 1.98 – 1.90 (m, 1H), 1.88 – 1.81 (m, 2H), 1.77 – 1.70 (m, 1H), 1.68 – 1.62 (m, 1H), 1.52 – 1.45 (m, 1H), 1.17 (ddd, J = 12.4, 8.9, 5.5 Hz, 1H), 1.11 (s, 3H), 1.00 (s, 3H), 0.88 (s, 3H)
¹³C NMR (126 MHz, CDCl₃)	δ 52.17, 44.73, 40.95, 31.74, 29.86, 28.97, 28.94, 26.44, 22.81, 21.23, 20.33, 19.94, 14.27, 10.69, 1.17
¹⁹F NMR (470 MHz, CDCl₃)	δ −73.90 (s, 3F)
HRMS (DART)	m/z: [M − H]⁻ Calcd. for C₁₁H₁₆F₃O⁻: 221.1153; Found: 221.1086
NMR spectra	Image data were not transcribed

2,4-diethyl-9-(trifluoromethyl)-9H-thioxanthen-9-ol
Identifier	2g
¹H NMR (500 MHz, CDCl₃)	δ 8.03 – 7.97 (m, 1H), 7.73 (s, 1H), 7.47 – 7.41 (m, 1H), 7.40 – 7.31 (m, 2H), 7.15 (d, J = 1.9 Hz, 1H), 2.87 (s, 1H), 2.80 (qd, J = 7.5, 4.1 Hz, 2H), 2.70 (q, J = 7.6 Hz, 2H), 1.31 (t, J = 7.5 Hz, 3H), 1.27 (t, J = 7.6 Hz, 3H)
¹³C NMR (126 MHz, CDCl₃)	δ 142.26, 139.96, 132.09, 130.24, 130.14, 129.31, 129.01, 128.49, 128.43, 127.63, 126.35, 126.32, 126.19, 125.38, 123.90, 121.60, 74.89, 74.64, 74.40, 74.15, 28.80, 27.12, 15.81, 14.15
¹⁹F NMR (470 MHz, CDCl₃)	δ −80.48 (s, 3F)
HRMS (DART)	m/z: [M − H]⁻ Calcd. for C₁₈H₁₆F₃OS⁻: 337.0814; Found: 337.0776
NMR spectra	Image data were not transcribed

7-(trifluoromethyl)-7H-benzo[de]anthracen-7-ol
Identifier	2h
¹H NMR (500 MHz, CDCl₃)	δ 8.12 (d, J = 7.3 Hz, 1H), 8.04 (t, J = 8.6 Hz, 2H), 7.98 (d, J = 7.9 Hz, 1H), 7.89 (d, J = 8.1 Hz, 1H), 7.82 (d, J = 8.1 Hz, 1H), 7.56 (td, J = 7.8, 1.6 Hz, 2H), 7.49 (td, J = 7.6, 1.4 Hz, 1H), 7.45 – 7.38 (m, 1H), 2.96 (s, 1H)
¹³C NMR (126 MHz, CDCl₃)	δ 133.24, 133.23, 132.16, 130.54, 130.08, 130.04, 129.06, 128.85, 128.58, 128.57, 128.56, 128.55, 128.27, 126.93, 126.89, 126.88, 126.86, 126.72, 126.21, 125.74, 123.72, 123.46, 121.00, 74.61, 74.37, 74.14, 73.90
¹⁹F NMR (470 MHz, CDCl₃)	δ −81.88 (s, 3F)
HRMS (DART)	m/z: [M − H]⁻ Calcd. for C₁₈H₁₀F₃O⁻: 299.007; Found: 299.0662
NMR spectra	Image data were not transcribed

4-(4-chlorophenyl)-1-(5,5,5-trifluoro-4-(4-fluorophenyl)-4-hydroxypentyl)piperidin-4-ol
Identifier	2i
¹H NMR (500 MHz, CDCl₃)	δ 7.56 (t, J = 6.9 Hz, 2H), 7.45 (d, J = 8.4 Hz, 2H), 7.34 (d, J = 8.4 Hz, 2H), 7.08 (t, J = 8.5 Hz, 2H), 3.58 – 2.81 (m, 8H), 2.72 – 2.18 (m, 8H)
¹³C NMR (126 MHz, CDCl₃)	δ 135.11, 130.91, 130.83, 129.37, 129.31, 128.75, 128.61, 127.13, 126.28, 125.73, 116.03, 115.85, 115.20, 115.03, 70.77, 58.67, 50.50, 49.25, 47.59, 37.66, 37.59, 36.05, 34.85, 33.84, 32.08, 30.31, 30.19, 29.85, 29.51, 26.86, 22.84, 20.60, 14.34, 14.27
¹⁹F NMR (470 MHz, CDCl₃)	δ −80.24 (s, 3F), −114.65 (s, 1F)
HRMS (DART)	m/z: [M]⁺ Calcd. for C₂₂H₂₄ClF₄NO₂⁺: 445.1432; Found: 445.0897
NMR spectra	Image data were not transcribed

1,1,1-trifluoro-2-phenylpropan-2-ol
Identifier	4a
¹⁹F NMR (376 MHz, CDCl₃)	δ −81.3 (s, 3F)
HRMS (DART)	m/z: [M]⁺ Calcd. for C₉H₉F₃O⁺: 190.0600; Found: 190.0839

1,1,1-trifluoro-2,4-diphenylbut-3-en-2-ol
Identifier	4b
¹H NMR (500 MHz, CDCl₃)	δ 7.66 (d, J = 7.3 Hz, 2H), 7.48 – 7.27 (m, 8H), 6.89 (d, J = 16.1 Hz, 1H), 6.73 (d, J = 16.1 Hz, 1H), 2.69 (s, 1H)
¹³C NMR (126 MHz, CDCl₃)	δ 137.51, 135.64, 133.69, 128.96, 128.88, 128.79, 128.53, 127.06, 126.95, 126.94, 126.63, 126.30, 124.02, 77.80, 77.57, 77.34
¹⁹F NMR (376 MHz, CDCl₃)	δ −78.51 (s, 3F)
HRMS (DART)	m/z: [M]⁺ Calcd. for C₁₆H₁₃F₃O⁺: 278.0918; Found: 278.0913
NMR spectra	Image data were not transcribed

2,2,2-trifluoro-1-phenylethan-1-one
Identifier	4c
¹⁹F NMR (376 MHz, CDCl₃)	δ −71.7 (s, 3F)
HRMS (DART)	m/z: [M]⁺ Calcd. for C₈H₆F₃O⁺: 174.0373; Found: 174.0527

1-(trifluoromethyl)cyclohex-2-en-1-ol
Identifier	4d
¹⁹F NMR (376 MHz, CDCl₃)	δ −84.4 (s, 3F)
HRMS (DART)	m/z: [M + H]⁺ Calcd. for C₇H₁₀F₃O⁺: 167.0673; Found: 167.1067

4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide
Identifier	4e
¹H NMR (500 MHz, CDCl₃)	δ 7.61 (d, J = 8.5 Hz, 2H), 7.36 – 7.26 (m, 3H), 7.18 (m, 4H), 5.39 (d, J = 9.1 Hz, 1H), 4.96 – 4.88 (m, 1H), 2.37 (s, 3H)
¹³C NMR (126 MHz, CDCl₃)	δ 143.75, 136.89, 131.84, 129.43, 129.27, 128.79, 127.61, 126.92, 59.17, 58.91, 21.39
¹⁹F NMR (470 MHz, CDCl₃)	δ −73.87 (d, J = 7.5 Hz)
HRMS (DART)	m/z: [M − H]⁻ Calcd. for C₁₅H₁₃F₃NO₂S⁻: 328.0627; Found: 328.0618
NMR spectra	Image data were not transcribed

phenyl(trifluoromethyl)selane
Identifier	4f
¹⁹F NMR (376 MHz, CDCl₃)	δ −36.1 (s, 3F)

N-(2,2,2-trifluoro-1-phenylethyl)aniline
Identifier	4g
¹⁹F NMR (376 MHz, CDCl₃)	δ −67.8 (t, J = 10.0 Hz, 3F)

Cu–CF₃
¹⁹F NMR (376 MHz, CDCl₃)	δ −26.3 (s, 3F); image data were not transcribed

Ag–CF₃
¹⁹F NMR (376 MHz, CDCl₃)	δ −19.7 (d, 3F); peak at −24 ppm assigned to Ag(CF₃)₂⁻; image data were not transcribed

Trifluorotoluene
Identifier	6a
¹⁹F NMR (376 MHz, CDCl₃)	δ −63.08 (s, 3F)
HRMS (DART)	m/z: [M]⁺ Calcd. for C₇H₅F₃⁺: 146.0343; Found: 145.9899

(4-methoxyphenyl)(trifluoromethyl)sulfane
Identifier	6b
¹⁹F NMR (376 MHz, CDCl₃)	δ −43.9 (s, 3F)

1-(trifluoromethyl)naphthalene
Identifier	6c
¹H NMR (500 MHz, CDCl₃)	δ 8.24 – 8.16 (m, 1H), 8.03 (d, J = 8.3 Hz, 1H), 7.96 – 7.91 (m, 1H), 7.88 (d, J = 7.2 Hz, 1H), 7.61 (dddd, J = 25.8, 8.1, 6.9, 1.3 Hz, 2H), 7.51 (t, J = 7.8 Hz, 1H)
¹³C NMR (126 MHz, CDCl₃)	δ 134.04, 132.90, 132.89, 129.12, 129.11, 128.90, 128.14, 127.78, 126.74, 126.61, 126.37, 126.13, 125.97, 125.89, 124.91, 124.87, 124.82, 124.77, 124.45, 124.43, 124.41, 124.39, 124.31, 123.79, 121.61
¹⁹F NMR (470 MHz, CDCl₃)	δ −59.73 (s, 3F)
HRMS (DART)	m/z: [M]⁺ Calcd. for C₁₁H₇F₃⁺: 196.0500; Found: 196.0497
NMR spectrum image	Image data were not transcribed

2-(trifluoromethyl)pyrimidine
Identifier	6d
¹⁹F NMR (376 MHz, CDCl₃)	δ −70.7 (s, 3F)
HRMS (DART)	m/z: [M + H]⁺ Calcd. for C₅H₄F₃N₂⁺: 149.0973; Found: 149.0234