[3,5-Bis(trifluoromethyl)phenyl]phenylmethanone

C₁₅H₈F₆OCAS 21221-93-2318.22 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₅H₈F₆O
Molar mass: 318.22 g/mol
Exact mass: 318.0479 Da
Melting point: 109–110.8 °C
logP: 4.96Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

21221-93-2

SMILES

O=C(c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIKey

QETSMUIBVUASOJ-UHFFFAOYSA-N

InChI

InChI=1S/C15H8F6O/c16-14(17,18)11-6-10(7-12(8-11)15(19,20)21)13(22)9-4-2-1-3-5-9/h1-8H

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Names and synonyms

4 names

Methanone, [3,5-bis(trifluoromethyl)phenyl]phenyl-
Benzophenone, 3,5-bis(trifluoromethyl)-
[3,5-Bis(trifluoromethyl)phenyl](phenyl)methanone
3,5-Bis(trifluoromethyl)benzophenone

Work with [3,5-Bis(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

3-(Trifluoromethyl)benzophenone728-81-477 % similar 4′-Trifluoromethylbenzophenone728-86-973 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-159 % similar Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-154 % similar 1,4-Dibenzoylbenzene3016-97-554 % similar 1,3-Dibenzoylbenzene3770-82-953 % similar Bis (trifluoromethyl)acetophenone30071-93-350 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-450 % similar

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

Elsewhere

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