3-(difluoromethyl)-2,6-difluoropyridine

• ChemBase ID: 66211
• Molecular Formular: C6H3F4N
• Molecular Mass: 165.0883328
• Monoisotopic Mass: 165.02016198
• SMILES: c1(c(ccc(n1)F)C(F)F)F
• Canonical SMILES: Fc1ccc(c(n1)F)C(F)F
• InChI: InChI=1S/C6H3F4N/c7-4-2-1-3(5(8)9)6(10)11-4/h1-2,5H
• InChIKey: IKYICBXGNVGTRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(difluoromethyl)-2,6-difluoropyridine
• IUPAC Traditional name: 3-(difluoromethyl)-2,6-difluoropyridine
• Synonyms: 3-(Difluoromethyl)-2,6-difluoro-pyridine

Database IDs

• MDL Number: MFCD22199312
• PubChem SID: 162031950
• PubChem CID: 20139558

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2179265
• LogD (pH = 7.4): 2.2179265
• Log P: 2.2179265
• Molar Refractivity: 31.4473 cm^3
• Polarizability: 10.648613 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%