CAS 1868-00-4|bis[3-(trifluoromethyl)phenyl]methanone|bis[3-(trifluoromethyl)phenyl]methanone|3,3'-Bis(trifluoromethyl)benzophenone 98%|3,3′-双(三氟甲基)二苯甲酮|3,3'-DI(TRIFLUOROMETHYL)BENZOPHENON...

General Information

Structure

Molecular Formula

C₁₅H₈F₆O

Molecular Mass

318.2138392

Exact Mass

318.0479342

Charge

InChI

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

InChIKey

POOXOHISLGOAEF-UHFFFAOYSA-N

Canonic Smiles

O=C(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F

Isomeric Smiles

O=C(c1cc(ccc1)C(F)(F)F)c1cccc(c1)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.188296

LogD (pH = 7.4)

5.188296

Log P

5.188296

Molar Refractivity

68.5809

Polarizability

24.395084

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC Traditional name

bis[3-(trifluoromethyl)phenyl]methanone

IUPAC name

bis[3-(trifluoromethyl)phenyl]methanone

Synonyms

3,3'-Bis(trifluoromethyl)benzophenone 98%3,3'-DI(TRIFLUOROMETHYL)BENZOPHENONE3,3′-双(三氟甲基)二苯甲酮3,3′-Bis(trifluoromethyl)benzophenone3,3'-双(三氟甲基)苯甲酮3,3'-Bis(trifluoromethyl)benzophenone3,3'-Bis(trifluoromethyl)benzophenone

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

Beilstein Number

EC Number