[2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone

C₁₄H₈F₄OCAS 207974-08-1268.21 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₁₄H₈F₄O
Molar mass: 268.21 g/mol
Exact mass: 268.0511 Da
logP: 4.08Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 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

207974-08-1

SMILES

O=C(c1ccccc1)c1ccc(C(F)(F)F)cc1F

InChIKey

VXVJVWCUWZLUIJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H8F4O/c15-12-8-10(14(16,17)18)6-7-11(12)13(19)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

2 names

Methanone, [2-fluoro-4-(trifluoromethyl)phenyl]phenyl-
2-Fluoro-4-(trifluoromethyl)benzophenone

Work with [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone

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-Chloro-5-(trifluoromethyl)benzophenone789-96-865 % similar 4′-Trifluoromethylbenzophenone728-86-963 % similar 3-(Trifluoromethyl)benzophenone728-81-462 % similar (2,4-Difluorophenyl)phenylmethanone85068-35-562 % similar 2-Fluoro-4-(trifluoromethyl)benzamide207853-64-361 % similar 2-Fluorobenzophenone342-24-560 % similar [3,5-Bis(trifluoromethyl)phenyl]phenylmethanone21221-93-259 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-5-(trifluoromethyl)benzophenone199292-40-5 2-Fluoro-3-(trifluoromethyl)benzophenone207853-70-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook