2-(difluoromethyl)-6-fluoropyridine

• ChemBase ID: 66212
• Molecular Formular: C6H4F3N
• Molecular Mass: 147.0978696
• Monoisotopic Mass: 147.02958379
• SMILES: c1(cccc(n1)F)C(F)F
• Canonical SMILES: Fc1cccc(n1)C(F)F
• InChI: InChI=1S/C6H4F3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
• InChIKey: TWYOANJAACUDQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethyl)-6-fluoropyridine
• IUPAC Traditional name: 2-(difluoromethyl)-6-fluoropyridine
• Synonyms: 2-(Difluoromethyl)-6-fluoro-pyridine

Database IDs

• CAS Number: 387398-49-4
• MDL Number: MFCD17215355
• PubChem SID: 162031951
• PubChem CID: 18439388

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8382502
• LogD (pH = 7.4): 1.8382502
• Log P: 1.8382502
• Molar Refractivity: 29.8625 cm^3
• Polarizability: 10.685384 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: 95%