(S)-Alpha-(Trifluoromethyl)benzyl alcohol
Properties
- Molecular formula
- C8H7F3O
- Molar mass
- 176.14 g/mol
- Exact mass
- 176.0449 Da
- Melting point
- 74.3–75.2 °C
- Boiling point
- 125–127 °C
- logP
- 2.28Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 47 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
340-04-5SMILES
OC(c1ccccc1)C(F)(F)FInChIKey
VNOMEAQPOMDWSR-UHFFFAOYSA-NInChI
InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
16 names · show all
- 2,2,2-Trifluoro-1-phenylethanol
- Benzenemethanol, α-(trifluoromethyl)-
- Benzyl alcohol, α-(trifluoromethyl)-, (±)-
- Benzenemethanol, α-(trifluoromethyl)-, (±)-
- Benzyl alcohol, α-(trifluoromethyl)-
- α-(Trifluoromethyl)benzenemethanol
- (±)-1-Phenyl-2,2,2-trifluoroethanol
- (±)-2,2,2-Trifluoro-1-phenylethanol
- α-(Trifluoromethyl)benzyl alcohol
- 2,2,2-Trifluorophenylethanol
- 1-Phenyl-2,2,2-trifluoroethanol
- (±)-α-(Trifluoromethyl) benzyl alcohol
- β,β,β-Trifluoro-α-hydroxyethylbenzene
- NSC 20214
- (±)-1-Phenyl-2-trifluoroethanol
- 2,2,2-Trifluoro-1-phenylethan-1-ol
Work with (S)-Alpha-(Trifluoromethyl)benzyl alcohol
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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
Similar compounds
2,2,2-Trichloro-1-phenylethanol2000-43-356 % similar
(2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-052 % 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
Hydrobenzoin655-48-144 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds