5-(difluoromethoxy)-2-fluoropyridine

• ChemBase ID: 242147
• Molecular Formular: C6H4F3NO
• Molecular Mass: 163.0972696
• Monoisotopic Mass: 163.02449841
• SMILES: n1c(F)ccc(OC(F)F)c1
• Canonical SMILES: FC(Oc1ccc(nc1)F)F
• InChI: InChI=1S/C6H4F3NO/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H
• InChIKey: YAYNBQKHBNEVLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(difluoromethoxy)-2-fluoropyridine
• IUPAC Traditional name: 5-(difluoromethoxy)-2-fluoropyridine
• Synonyms: 5-(difluoromethoxy)-2-fluoropyridine

Database IDs

• MDL Number: MFCD13185839
• PubChem SID: 164298057
• PubChem CID: 14665053

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.061293
• LogD (pH = 7.4): 2.061293
• Log P: 2.061293
• Molar Refractivity: 31.6043 cm^3
• Polarizability: 11.490616 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.695

Product Information

• Purity: 95%