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

C₈H₇F₃OCAS 340-06-7176.14 g/mol

Open in Covalent MOL file

Alcohol Halogen

Properties

Molecular formula: C₈H₇F₃O
Molar mass: 176.14 g/mol
Exact mass: 176.0449 Da
Boiling point: 83–85 °C (at 14 Torr)
logP: 2.28Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

340-06-7

SMILES

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

InChIKey

VNOMEAQPOMDWSR-ZETCQYMHSA-N

InChI

InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

Benzenemethanol, α-(trifluoromethyl)-, (αS)-
Benzyl alcohol, α-(trifluoromethyl)-, (S)-(+)-
Benzenemethanol, α-(trifluoromethyl)-, (S)-
(αS)-α-(Trifluoromethyl)benzenemethanol
(S)-(+)-2,2,2-Trifluoro-1-phenylethanol
(+)-1-Phenyl-2,2,2-trifluoroethanol
(+)-α-(Trifluoromethyl) benzyl alcohol
(S)-α-(Trifluoromethyl)benzyl alcohol
(S)-1-Phenyl-2,2,2-trifluoroethanol
(1S)-2,2,2-Trifluoro-1-phenylethan-1-ol
(S)-(+)-1-Phenyl-2,2,2-trifluoroethanol
(1S)-2,2,2-Trifluoro-1-phenylethanol
(S)-(+)-α-(Trifluoromethyl)benzyl alcohol

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-7 2,2,2-Trifluoro-1-phenylethanol340-04-5 2,2,2-Trifluoro-1-phenylethanol340-05-6 2-(Trifluoromethyl)benzenemethanol346-06-5 3-(Trifluoromethyl)benzenemethanol349-75-7 4-(Trifluoromethyl)benzenemethanol349-95-1 1-Methoxy-3-(trifluoromethyl)benzene454-90-0

Elsewhere

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