2-phenoxy-6-(trifluoromethyl)pyridine

• ChemBase ID: 98766
• Molecular Formular: C12H8F3NO
• Molecular Mass: 239.1932296
• Monoisotopic Mass: 239.05579854
• SMILES: n1c(cccc1C(F)(F)F)Oc1ccccc1
• Canonical SMILES: FC(c1cccc(n1)Oc1ccccc1)(F)F
• InChI: InChI=1S/C12H8F3NO/c13-12(14,15)10-7-4-8-11(16-10)17-9-5-2-1-3-6-9/h1-8H
• InChIKey: QNNCUDJEYJWRQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxy-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-phenoxy-6-(trifluoromethyl)pyridine
• Synonyms: 2-Phenoxy-6-(trifluoromethyl)pyridine

Database IDs

• PubChem SID: 162105266
• PubChem CID: 45933710

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.114017
• LogD (pH = 7.4): 4.114017
• Log P: 4.114017
• Molar Refractivity: 56.0571 cm^3
• Polarizability: 20.851425 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant