4,4-difluoropiperidine

• ChemBase ID: 813261
• Molecular Formular: C5H9F2N
• Molecular Mass: 121.1284664
• Monoisotopic Mass: 121.07030573
• SMILES: C1(CCNCC1)(F)F
• Canonical SMILES: FC1(F)CCNCC1
• InChI: InChI=1S/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2
• InChIKey: MJOUJKDTBGXKIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-difluoropiperidine
• IUPAC Traditional name: 4,4-difluoropiperidine
• Synonyms: 4,4-DIFLUOROPIPERIDINE

Database IDs

• CAS Number: 21987-29-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2552228
• LogD (pH = 7.4): -0.9923955
• Log P: 0.87684554
• Molar Refractivity: 26.296 cm^3
• Polarizability: 10.284856 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%