4-(3,3-difluoroazetidin-1-yl)piperidine

• ChemBase ID: 288641
• Molecular Formular: C8H14F2N2
• Molecular Mass: 176.2069664
• Monoisotopic Mass: 176.1125049
• SMILES: FC1(F)CN(C1)C1CCNCC1
• Canonical SMILES: FC1(F)CN(C1)C1CCNCC1
• InChI: InChI=1S/C8H14F2N2/c9-8(10)5-12(6-8)7-1-3-11-4-2-7/h7,11H,1-6H2
• InChIKey: NMSGIIPUOLDNTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,3-difluoroazetidin-1-yl)piperidine
• IUPAC Traditional name: 4-(3,3-difluoroazetidin-1-yl)piperidine
• Synonyms: 4-(3,3-Difluoroazetidin-1-yl)piperidine

Database IDs

• CAS Number: 1093066-73-9
• MDL Number: MFCD17215901
• PubChem SID: 180674172
• PubChem CID: 59605680

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8651462
• LogD (pH = 7.4): -2.325622
• Log P: 0.36304542
• Molar Refractivity: 42.8435 cm^3
• Polarizability: 16.540133 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%