3-(difluoromethyl)-2-fluoropyridine

• ChemBase ID: 66193
• Molecular Formular: C6H4F3N
• Molecular Mass: 147.0978696
• Monoisotopic Mass: 147.02958379
• SMILES: c1(c(cccn1)C(F)F)F
• Canonical SMILES: FC(c1cccnc1F)F
• InChI: InChI=1S/C6H4F3N/c7-5(8)4-2-1-3-10-6(4)9/h1-3,5H
• InChIKey: XBXUTUWTZFRNNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(difluoromethyl)-2-fluoropyridine
• IUPAC Traditional name: 3-(difluoromethyl)-2-fluoropyridine
• Synonyms: 3-(Difluoromethyl)-2-fluoropyridine

Database IDs

• MDL Number: MFCD22199298
• PubChem SID: 162031932
• PubChem CID: 60623007

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.681294
• LogD (pH = 7.4): 1.681294
• Log P: 1.681294
• Molar Refractivity: 30.2162 cm^3
• Polarizability: 10.682934 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%