4-fluoro-octahydrocyclopenta[c]pyrrole hydrochloride

• ChemBase ID: 241125
• Molecular Formular: C7H13ClFN
• Molecular Mass: 165.6362232
• Monoisotopic Mass: 165.07205532
• SMILES: C12C(CCC1CNC2)F.Cl
• Canonical SMILES: FC1CCC2C1CNC2.Cl
• InChI: InChI=1S/C7H12FN.ClH/c8-7-2-1-5-3-9-4-6(5)7;/h5-7,9H,1-4H2;1H
• InChIKey: XJCSWBVEJLRPIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-octahydrocyclopenta[c]pyrrole hydrochloride
• IUPAC Traditional name: 4-fluoro-octahydrocyclopenta[c]pyrrole hydrochloride
• Synonyms: 4-fluoro-octahydrocyclopenta[c]pyrrole hydrochloride

Database IDs

• MDL Number: MFCD22421818
• PubChem SID: 164297035
• PubChem CID: 71756715

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7705605
• LogD (pH = 7.4): -2.6471694
• Log P: 0.4696374
• Molar Refractivity: 33.855 cm^3
• Polarizability: 13.389509 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): 0.792

Product Information

• Purity: 95%