2,6-diphenyl-4-(trifluoromethyl)pyridine

• ChemBase ID: 66161
• Molecular Formular: C18H12F3N
• Molecular Mass: 299.2897896
• Monoisotopic Mass: 299.09218405
• SMILES: c1(cc(cc(n1)c1ccccc1)C(F)(F)F)c1ccccc1
• Canonical SMILES: FC(c1cc(nc(c1)c1ccccc1)c1ccccc1)(F)F
• InChI: InChI=1S/C18H12F3N/c19-18(20,21)15-11-16(13-7-3-1-4-8-13)22-17(12-15)14-9-5-2-6-10-14/h1-12H
• InChIKey: HYLGDGCHYKAAAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diphenyl-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2,6-diphenyl-4-(trifluoromethyl)pyridine
• Synonyms: 2,6-Diphenyl-4-(trifluoromethyl)pyridine

Database IDs

• MDL Number: MFCD16140183
• PubChem SID: 162031900
• PubChem CID: 10859523

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6947823
• LogD (pH = 7.4): 5.6995125
• Log P: 5.699573
• Molar Refractivity: 79.4032 cm^3
• Polarizability: 32.20571 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%