2-(Trifluoromethyl)benzhydrol

C₁₄H₁₁F₃OCAS 727-98-0252.24 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

727-98-0

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)O

InChIKey

RMAICPATZGPCIL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-(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

1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-356 % similar 1-(Dichloromethyl)-2-(trifluoromethyl)benzene707-72-252 % similar 2-Aminobenzhydrol13209-38-650 % similar 2-Methylbenzhydrol5472-13-950 % similar Diphenylmethanol91-01-050 % similar 1,2-Bis(trifluoromethyl)benzene433-95-446 % similar 4-Fluoro-α-phenylbenzenemethanol365-22-044 % similar 2-(Trifluoromethyl)-DL-phenylglycine240490-00-044 % similar

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

Same formula

4-(Trifluoromethyl)benzhydrol395-23-3 1-(Phenylmethoxy)-3-(trifluoromethyl)benzene70097-64-2 3-(Trifluoromethyl)benzhydrol728-80-3

Elsewhere

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