(phenylmethylidene)({[2-(trifluoromethoxy)phenyl]methyl})amine

• ChemBase ID: 96387
• Molecular Formular: C15H12F3NO
• Molecular Mass: 279.2570896
• Monoisotopic Mass: 279.08709867
• SMILES: O(c1ccccc1C/N=C/c1ccccc1)C(F)(F)F
• Canonical SMILES: FC(Oc1ccccc1C/N=C/c1ccccc1)(F)F
• InChI: InChI=1S/C15H12F3NO/c16-15(17,18)20-14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h1-10H,11H2
• InChIKey: PNKOCCHJMNFZOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (phenylmethylidene)({[2-(trifluoromethoxy)phenyl]methyl})amine
• IUPAC Traditional name: (phenylmethylidene)({[2-(trifluoromethoxy)phenyl]methyl})amine
• Synonyms: N-benzylidene-N-[2-(trifluoromethoxy)benzyl]amine

Database IDs

• MDL Number: MFCD00108826
• PubChem SID: 162083036
• PubChem CID: 2781427

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.94897
• LogD (pH = 7.4): 5.0757885
• Log P: 5.0776706
• Molar Refractivity: 67.2787 cm^3
• Polarizability: 26.019367 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false