1-(2-(Trifluoromethyl)phenyl)ethanol

C₉H₉F₃OCAS 79756-81-3190.17 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₉H₉F₃O
Molar mass: 190.17 g/mol
Exact mass: 190.0605 Da
logP: 2.76Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed93% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

79756-81-3

SMILES

CC(O)c1ccccc1C(F)(F)F

InChIKey

VGHBIJJTMFYTPY-UHFFFAOYSA-N

InChI

InChI=1S/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzenemethanol, α-methyl-2-(trifluoromethyl)-
Benzyl alcohol, α-methyl-o-(trifluoromethyl)-
α-Methyl-2-(trifluoromethyl)benzenemethanol
1-[2-(Trifluoromethyl)phenyl]ethan-1-ol

Work with 1-(2-(Trifluoromethyl)phenyl)ethanol

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)benzhydrol727-98-056 % similar (S)-1-(2-Fluorophenyl)ethanol171032-87-453 % similar 2-Fluoro-α-methylbenzenemethanol445-26-153 % similar 1-(Dichloromethyl)-2-(trifluoromethyl)benzene707-72-253 % similar 1-(2-Bromophenyl)ethan-1-ol114446-55-850 % similar (R)-1-(2-Bromophenyl)ethanol76116-20-650 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-248 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-648 % 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 2-(Trifluoromethyl)benzeneethanol94022-96-5

Elsewhere

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