6-fluoro-2-azaspiro[3.3]heptane hydrochloride

• ChemBase ID: 242775
• Molecular Formular: C6H11ClFN
• Molecular Mass: 151.6096432
• Monoisotopic Mass: 151.05640526
• SMILES: C12(CC(C1)F)CNC2.Cl
• Canonical SMILES: FC1CC2(C1)CNC2.Cl
• InChI: InChI=1S/C6H10FN.ClH/c7-5-1-6(2-5)3-8-4-6;/h5,8H,1-4H2;1H
• InChIKey: KPIBCWZDZRIFJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-azaspiro[3.3]heptane hydrochloride
• IUPAC Traditional name: 6-fluoro-2-azaspiro[3.3]heptane hydrochloride
• Synonyms: 6-fluoro-2-azaspiro[3.3]heptane hydrochloride

Database IDs

• MDL Number: MFCD22566091
• PubChem SID: 164298685
• PubChem CID: 71757081

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0788243
• LogD (pH = 7.4): -2.6141326
• Log P: 0.15244748
• Molar Refractivity: 29.1253 cm^3
• Polarizability: 11.559252 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.083

Product Information

• Purity: 95%