(-)-2,2,2-Trifluoro-1-phenylethanol

C₈H₇F₃OCAS 10531-50-7176.14 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₈H₇F₃O
Molar mass: 176.14 g/mol
Exact mass: 176.0449 Da
logP: 2.28Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10531-50-7

SMILES

O[C@H](c1ccccc1)C(F)(F)F

InChIKey

VNOMEAQPOMDWSR-SSDOTTSWSA-N

InChI

InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

Benzenemethanol, α-(trifluoromethyl)-, (αR)-
Benzyl alcohol, α-(trifluoromethyl)-, (R)-(-)-
Benzenemethanol, α-(trifluoromethyl)-, (R)-
(αR)-α-(Trifluoromethyl)benzenemethanol
(R)-(-)-2,2,2-Trifluoro-1-phenylethanol
(R)-(Trifluoromethyl)phenylmethanol
(R)-1-Phenyl-2,2,2-trifluoroethanol
(-)-1-Phenyl-2,2,2-trifluoroethanol
(R)-2,2,2-Trifluoro-1-phenylethanol
(-)-α-(Trifluoromethyl) benzyl alcohol
(R)-(-)-α-(Trifluoromethyl)benzyl alcohol
(R)-α-(Trifluoromethyl)benzyl alcohol
(1R)-2,2,2-Trifluoro-1-phenylethanol
(1R)-2,2,2-Trifluoro-1-phenylethan-1-ol

Work with (-)-2,2,2-Trifluoro-1-phenylethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-2,2,2-Trifluoro-1-phenylethanol340-06-7Enantiomer (S)-Alpha-(Trifluoromethyl)benzyl alcohol340-04-5Stereo not defined (S)-Alpha-(Trifluoromethyl)benzyl alcohol340-05-6Stereo not defined

Similar compounds

2,2,2-Trichloro-1-phenylethanol2000-43-356 % similar (2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-052 % similar (R)-(+)-1,1,2-Triphenyl-1,2-ethanediol95061-46-452 % similar (-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol53531-34-350 % similar (+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol60646-30-250 % similar (S,S)-(-)-Hydrobenzoin2325-10-244 % similar (R,R)-Hydrobenzoin52340-78-044 % similar Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Trifluoromethyl)benzylic alcohol346-06-5 3-(Trifluoromethyl)benzylic alcohol349-75-7 4-(Trifluoromethyl)benzenemethanol349-95-1 1-Methoxy-4-(trifluoromethyl)benzene402-52-8 1-Methoxy-3-(trifluoromethyl)benzene454-90-0

Elsewhere

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