4-(difluoromethyl)-2-fluoropyridine

• ChemBase ID: 58855
• Molecular Formular: C6H4F3N
• Molecular Mass: 147.0978696
• Monoisotopic Mass: 147.02958379
• SMILES: c1(cc(ccn1)C(F)F)F
• Canonical SMILES: Fc1nccc(c1)C(F)F
• InChI: InChI=1S/C6H4F3N/c7-5-3-4(6(8)9)1-2-10-5/h1-3,6H
• InChIKey: HQURWUNRSQARIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(difluoromethyl)-2-fluoropyridine
• IUPAC Traditional name: 4-(difluoromethyl)-2-fluoropyridine
• Synonyms: 2-Fluoro-4-(difluoromethyl)pyridine

Database IDs

• MDL Number: MFCD19442245
• PubChem SID: 162063618
• PubChem CID: 12804459

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6812938
• LogD (pH = 7.4): 1.681294
• Log P: 1.681294
• Molar Refractivity: 30.2162 cm^3
• Polarizability: 10.682751 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%