4-(trifluoromethoxy)-N-(triphenyl-$l^{5}-phosphanylidene)aniline

• ChemBase ID: 96582
• Molecular Formular: C25H19F3NOP
• Molecular Mass: 437.3934306
• Monoisotopic Mass: 437.11563552
• SMILES: P(=Nc1ccc(cc1)OC(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: FC(Oc1ccc(cc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(F)F
• InChI: InChI=1S/C25H19F3NOP/c26-25(27,28)30-21-18-16-20(17-19-21)29-31(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H
• InChIKey: WIUBIRAVBXKLMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(trifluoromethoxy)-N-(triphenyl-$l^{5}-phosphanylidene)aniline
• IUPAC Traditional name: 4-(trifluoromethoxy)-N-(triphenyl-$l^{5}-phosphanylidene)aniline
• Synonyms: triphenyl{[4-(trifluoromethoxy)phenyl]imino}phosphorane

Database IDs

• MDL Number: MFCD01314443
• PubChem SID: 162083231
• PubChem CID: 634869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.963099
• LogD (pH = 7.4): 8.963396
• Log P: 8.9634
• Molar Refractivity: 114.8817 cm^3
• Polarizability: 44.57358 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false