chempirical

4-(Trifluoromethyl)benzenemethanol

C8H7F3OCAS 349-95-1176.14 g/mol

Open in Covalent MOL file
HOFFF
AlcoholHalogen

Properties

Molecular formula
C8H7F3O
Molar mass
176.14 g/mol
Exact mass
176.0449 Da
Boiling point
78.5–80 °C (at 4 Torr)
logP
2.20Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
349-95-1
SMILES
OCc1ccc(C(F)(F)F)cc1
InChIKey
MOOUWXDQAUXZRG-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanol, 4-(trifluoromethyl)-
  • Benzyl alcohol, p-(trifluoromethyl)-
  • p-(Trifluoromethyl)benzyl alcohol
  • 4-(Trifluoromethyl)benzyl alcohol
  • (4-Trifluoromethylphenyl)methanol
  • p-(Trifluoromethyl)phenylmethanol

Work with 4-(Trifluoromethyl)benzenemethanol

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 (+)-2,2,2-Trifluoro-1-phenylethanol340-06-7 2-(Trifluoromethyl)benzenemethanol346-06-5 3-(Trifluoromethyl)benzenemethanol349-75-7 1-Methoxy-3-(trifluoromethyl)benzene454-90-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook