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

C15H8F6OCAS 21221-93-2318.22 g/mol

Open in Covalent MOL file
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Alkyl halideKetone

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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
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

3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone175136-66-078 % similar 3-(Trifluoromethyl)benzophenone728-81-477 % similar 4′-Trifluoromethylbenzophenone728-86-973 % similar 1,3,5-Tribenzoylbenzene25871-69-661 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-159 % similar 2-Fluoro-5-(trifluoromethyl)benzophenone199292-40-558 % similar 2-Chloro-5-(trifluoromethyl)benzophenone789-96-856 % similar Benzophenone119-61-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3'-Bis(trifluoromethyl)benzophenone1868-00-4 3,4'-Bis(trifluoromethyl)benzophenone21084-22-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook