Phenyl[2-(trifluoromethyl)phenyl]methanone

C₁₄H₉F₃OCAS 727-99-1250.22 g/mol

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Alkyl halide Ketone

Properties

Molecular formula: C₁₄H₉F₃O
Molar mass: 250.22 g/mol
Exact mass: 250.0605 Da
Melting point: 61 °C
Boiling point: 175–178 °C (at 31 Torr)
logP: 3.94Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

727-99-1

SMILES

O=C(c1ccccc1)c1ccccc1C(F)(F)F

InChIKey

JXIWJBWMQXDALU-UHFFFAOYSA-N

InChI

InChI=1S/C14H9F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H

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

Names and synonyms

3 names

Methanone, phenyl[2-(trifluoromethyl)phenyl]-
Benzophenone, 2-(trifluoromethyl)-
2-(Trifluoromethyl)benzophenone

Work with Phenyl[2-(trifluoromethyl)phenyl]methanone

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-Dibenzoylbenzene1159-86-061 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-958 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-756 % similar 2-(Trifluoromethyl)benzoic acid433-97-656 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-155 % similar 2-Fluorobenzophenone342-24-555 % similar [3,5-Bis(trifluoromethyl)phenyl]phenylmethanone21221-93-254 % similar 2-Bromobenzophenone13047-06-852 % similar

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

Same formula

3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-4 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-5 2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde675596-31-3 3-(Trifluoromethyl)benzophenone728-81-4 4′-Trifluoromethylbenzophenone728-86-9 4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-0

Elsewhere

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