4-(Trifluoromethyl)benzhydrol

C₁₄H₁₁F₃OCAS 395-23-3252.24 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₄H₁₁F₃O
Molar mass: 252.24 g/mol
Exact mass: 252.0762 Da
logP: 3.79Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed86.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 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

395-23-3

SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)O

InChIKey

LIZDGCXCDJOWBS-UHFFFAOYSA-N

InChI

InChI=1S/C14H11F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9,13,18H

Weigh it out

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

Work with 4-(Trifluoromethyl)benzhydrol

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

3,4'-Bis(trifluoromethyl)benzhydrol203915-48-474 % similar Diphenylmethanol91-01-060 % similar 4-Fluoro-α-phenylbenzenemethanol365-22-057 % similar Trifluorotoluene98-08-854 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol87901-76-653 % similar α-Methyl-4-(trifluoromethyl)benzenemethanol1737-26-453 % similar 4-Chlorobenzhydrol119-56-252 % similar 4-Methylbenzhydrol1517-63-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(Phenylmethoxy)-3-(trifluoromethyl)benzene70097-64-2 2-(Trifluoromethyl)benzhydrol727-98-0 3-(Trifluoromethyl)benzhydrol728-80-3

Elsewhere

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