2-(difluoromethyl)-3,5-difluoropyridine

• ChemBase ID: 66201
• Molecular Formular: C6H3F4N
• Molecular Mass: 165.0883328
• Monoisotopic Mass: 165.02016198
• SMILES: c1(c(cc(cn1)F)F)C(F)F
• Canonical SMILES: Fc1cnc(c(c1)F)C(F)F
• InChI: InChI=1S/C6H3F4N/c7-3-1-4(8)5(6(9)10)11-2-3/h1-2,6H
• InChIKey: XBFNYIPEEGQIKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethyl)-3,5-difluoropyridine
• IUPAC Traditional name: 2-(difluoromethyl)-3,5-difluoropyridine
• Synonyms: 2-(Difluoromethyl)-3,5-difluoro-pyridine

Database IDs

• MDL Number: MFCD22199304
• PubChem SID: 162031940
• PubChem CID: 60623013

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5870214
• LogD (pH = 7.4): 1.5870214
• Log P: 1.5870214
• Molar Refractivity: 29.0642 cm^3
• Polarizability: 10.651112 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%