4-Trifluoromethoxy-2'-trifluoromethylbenzophenone

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Basic information

CAS: 87996-57-4
Standard SMILES: O=C(c1ccc(OC(F)(F)F)cc1)c1ccccc1C(F)(F)F
InChIKey: OBAIXSBKXHICFO-UHFFFAOYSA-N
Molecular formula: C15H8F6O2
Average molar mass: 334.21 g/mol
Monoisotopic mass: 334.04284847

Names & identifiers

Preferred name: 4-Trifluoromethoxy-2'-trifluoromethylbenzophenone
IUPAC: [4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)phenyl]methanone
English name: 4-trifluoromethoxy-2'-trifluoromethylbenzophenone
Molecular formula: C15H8F6O2
Molecular weight: 334.21

Names & synonyms

87996-57-44-Trifluoromethoxy-2'-trifluoromethylbenzophenoneK6RES7I58PEINECS 289-369-9UNII-K6RES7I58P4-Trifluoromethoxy-2'-(trifluoromethyl)benzophenone[4-(Trifluoromethoxy)phenyl][2-(trifluoromethyl)phenyl]methanoneSCHEMBL11070724DTXSID60236742Methanone,[4-(trifluoromethoxy)phenyl][2-(trifluoromethyl)phenyl]-NS00065016(4-(TRIFLUOROMETHOXY)PHENYL)-(2-(TRIFLUOROMETHYL)PHENYL)METHANONE

Show more names

Methanone, [4-(trifluoromethoxy)phenyl][2-(trifluoromethyl)phenyl]-

METHANONE, (4-(TRIFLUOROMETHOXY)PHENYL)(2-(TRIFLUOROMETHYL)PHENYL

Database identifiers

CAS: 87996-57-4
PubChem CID: 3021171
DTXSID: DTXSID60236742
UNII: K6RES7I58P
EC Number: 289-369-9
Nikkaji: J334.033C

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 409

Physicochemical properties

Boiling point: 347.5 · 347.5±42.0 °C(Predicted)
Density: 1.384 · 1.384±0.06 g/cm3(Predicted)
FDA UNII: 6 RES7I58P · K6RES7I58P

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Compound notes

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