2-(Trifluoromethyl)benzeneethanol

C9H9F3OCAS 94022-96-5190.17 g/mol

Open in Covalent MOL file
HOFFF
AlcoholAlkyl halide

Properties

Molecular formula
C9H9F3O
Molar mass
190.17 g/mol
Exact mass
190.0605 Da
logP
2.24Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
94022-96-5
SMILES
OCCc1ccccc1C(F)(F)F
InChIKey
DBKIEXOOUXQPGC-UHFFFAOYSA-N
InChI
InChI=1S/C9H9F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4,13H,5-6H2

Weigh it out

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

Names and synonyms

5 names
  • Benzeneethanol, 2-(trifluoromethyl)-
  • 2-(2-Trifluoromethylphenyl)ethanol
  • 2-(Trifluoromethyl)phenethyl alcohol
  • 2-[2-(Trifluoromethyl)phenyl]ethan-1-ol
  • o-(Trifluoromethyl)phenethyl alcohol

Work with 2-(Trifluoromethyl)benzeneethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)benzylic alcohol346-06-566 % similar 2-(Trifluoromethyl)phenethylamine774-18-561 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-856 % similar 2-Trifluoromethylbenzyl chloride21742-00-755 % similar 2-(Trifluoromethyl)benzylamine3048-01-955 % similar 2-Trifluoromethylbenzyl bromide395-44-855 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-953 % similar 2-Fluorophenethyl alcohol50919-06-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Methyl-4-(trifluoromethyl)benzenemethanol1737-26-4 Alpha-methyl-3-(trifluoromethyl)benzyl alcohol454-91-1 1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook