chempirical

3-(Trifluoromethyl)benzenemethanol

C8H7F3OCAS 349-75-7176.14 g/mol

Open in Covalent MOL file
HOFFF
AlcoholHalogen

Properties

Molecular formula
C8H7F3O
Molar mass
176.14 g/mol
Exact mass
176.0449 Da
Density
1.285 g/mL (at 25 °C)
Boiling point
68 °C
logP
2.20Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
349-75-7
SMILES
OCc1cccc(C(F)(F)F)c1
InChIKey
BXEHKCUWIODEDE-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2

Weigh it out

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

Names and synonyms

7 names
  • Benzenemethanol, 3-(trifluoromethyl)-
  • Benzyl alcohol, m-(trifluoromethyl)-
  • m-(Trifluoromethyl)benzyl alcohol
  • 3-Hydroxymethylbenzyltrifluoride
  • 3-Trifluoromethylbenzyl alcohol
  • 3-Trifluorobenzyl alcohol
  • (3-Trifluoromethylphenyl)methanol

Work with 3-(Trifluoromethyl)benzenemethanol

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook