3,3-difluoropiperidine

• ChemBase ID: 288546
• Molecular Formular: C5H9F2N
• Molecular Mass: 121.1284664
• Monoisotopic Mass: 121.07030573
• SMILES: FC1(F)CNCCC1
• Canonical SMILES: FC1(F)CCCNC1
• InChI: InChI=1S/C5H9F2N/c6-5(7)2-1-3-8-4-5/h8H,1-4H2
• InChIKey: UOGQPXQDNUHUIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-difluoropiperidine
• IUPAC Traditional name: 3,3-difluoropiperidine
• Synonyms: 3,3-Difluoropiperidine; 3,3-DIFLUORO-PIPERIDINE

Database IDs

• CAS Number: 363179-66-2
• MDL Number: MFCD03093852
• PubChem SID: 180674077
• PubChem CID: 2758350

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.89564973
• LogD (pH = 7.4): 0.51559764
• Log P: 0.6848602
• Molar Refractivity: 27.0128 cm^3
• Polarizability: 10.285083 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%