chempirical

2,2,2-Trifluoro-1-phenylethanol

C8H7F3OCAS 340-05-6176.14 g/mol

Open in Covalent MOL file
HOFFF
AlcoholHalogen

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

Identifiers

CAS number
340-05-6
SMILES
OC(c1ccccc1)C(F)(F)F
InChIKey
VNOMEAQPOMDWSR-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H

Weigh it out

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

Names and synonyms

15 names · show all
  • 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 2,2,2-Trifluoro-1-phenylethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities 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

Same formula

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-7 2,2,2-Trifluoro-1-phenylethanol340-04-5 (+)-2,2,2-Trifluoro-1-phenylethanol340-06-7 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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