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

• ChemBase ID: 293087
• Molecular Formular: C8H16Cl2F2N2
• Molecular Mass: 249.1288464
• Monoisotopic Mass: 248.06586032
• SMILES: FC1(F)CN(C2CCNCC2)C1.Cl.Cl
• Canonical SMILES: FC1(F)CN(C1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C8H14F2N2.2ClH/c9-8(10)5-12(6-8)7-1-3-11-4-2-7;;/h7,11H,1-6H2;2*1H
• InChIKey: KACPIXHEWFBPBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1373503-66-2
• PubChem SID: 180678618
• PubChem CID: 71464189

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+%