3-(Trifluoromethyl)benzophenone

C14H9F3OCAS 728-81-4250.22 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
52.5 °C
Boiling point
122 °C
logP
3.94Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
728-81-4
SMILES
O=C(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIKey
IOXDAYKKVHAKSX-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H

Weigh it out

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

Names and synonyms

5 names
  • Methanone, phenyl[3-(trifluoromethyl)phenyl]-
  • Benzophenone, 3-(trifluoromethyl)-
  • Phenyl[3-(trifluoromethyl)phenyl]methanone
  • m-(Trifluoromethyl)benzophenone
  • Phenyl(3-(trifluoromethyl)phenyl)methanone

Work with 3-(Trifluoromethyl)benzophenone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3'-Bis(trifluoromethyl)benzophenone1868-00-489 % similar 3,4'-Bis(trifluoromethyl)benzophenone21084-22-084 % similar [3,5-Bis(trifluoromethyl)phenyl]phenylmethanone21221-93-277 % similar 2-Chloro-5-(trifluoromethyl)benzophenone789-96-863 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-162 % similar 1,3-Dibenzoylbenzene3770-82-962 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-462 % similar 2-Fluoro-5-(trifluoromethyl)benzophenone199292-40-561 % 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-biphenyl-4-carbaldehyde198205-95-7 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-0 2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde675596-31-3 Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-1 4′-Trifluoromethylbenzophenone728-86-9 2-[4-(Trifluoromethyl)phenyl]benzaldehyde84392-23-4

Elsewhere

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