[2-(trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone

• ChemBase ID: 96486
• Molecular Formular: C15H8F6O3
• Molecular Mass: 350.2126392
• Monoisotopic Mass: 350.03776344
• SMILES: O(c1c(cccc1)C(=O)c1ccc(cc1)OC(F)(F)F)C(F)(F)F
• Canonical SMILES: O=C(c1ccccc1OC(F)(F)F)c1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C15H8F6O3/c16-14(17,18)23-10-7-5-9(6-8-10)13(22)11-3-1-2-4-12(11)24-15(19,20)21/h1-8H
• InChIKey: FAVOOMHIXPIGGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone
• IUPAC Traditional name: [2-(trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone
• Synonyms: [2-(trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone

Database IDs

• MDL Number: MFCD01764745
• PubChem SID: 162083135
• PubChem CID: 2781587

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.294822
• LogD (pH = 7.4): 6.294822
• Log P: 6.294822
• Molar Refractivity: 62.7741 cm^3
• Polarizability: 25.998556 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false