chempirical

4′-Trifluoromethylbenzophenone

C14H9F3OCAS 728-86-9250.22 g/mol

Open in Covalent MOL file
OFFF
Alkyl halideKetone

Properties

Molecular formula
C14H9F3O
Molar mass
250.22 g/mol
Exact mass
250.0605 Da
Melting point
115 °C
logP
3.94Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
728-86-9
SMILES
O=C(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIKey
OHTYZZYAMUVKQS-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H

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

Names and synonyms

7 names
  • Methanone, phenyl[4-(trifluoromethyl)phenyl]-
  • Benzophenone, 4-(trifluoromethyl)-
  • Phenyl[4-(trifluoromethyl)phenyl]methanone
  • p-(Trifluoromethyl)benzophenone
  • (4-Trifluoromethylphenyl) phenyl ketone
  • 4-(Trifluoromethyl)benzophenone
  • NSC 88328

Work with 4′-Trifluoromethylbenzophenone

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

[3,5-Bis(trifluoromethyl)phenyl]phenylmethanone21221-93-273 % similar 1,4-Dibenzoylbenzene3016-97-564 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-163 % similar 4-tert-Butylbenzophenone22679-54-561 % similar 4-(Trifluoromethyl)benzamide1891-90-357 % similar 4-Fluorobenzophenone345-83-557 % similar 4-Phenylbenzophenone2128-93-055 % similar 4-(Trifluoromethyl)benzoyl fluoride368-94-555 % 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 Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-1 3-(Trifluoromethyl)benzophenone728-81-4 4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-0

Elsewhere

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