4,4-difluoro-octahydrocyclopenta[c]pyrrole hydrochloride

• ChemBase ID: 239340
• Molecular Formular: C7H12ClF2N
• Molecular Mass: 183.6266864
• Monoisotopic Mass: 183.06263351
• SMILES: C1(C2C(CC1)CNC2)(F)F.Cl
• Canonical SMILES: FC1(F)CCC2C1CNC2.Cl
• InChI: InChI=1S/C7H11F2N.ClH/c8-7(9)2-1-5-3-10-4-6(5)7;/h5-6,10H,1-4H2;1H
• InChIKey: XGFLSKFCOYEEAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-difluoro-octahydrocyclopenta[c]pyrrole hydrochloride
• IUPAC Traditional name: 4,4-difluoro-hexahydro-1H-cyclopenta[c]pyrrole hydrochloride
• Synonyms: 4,4-difluoro-octahydrocyclopenta[c]pyrrole hydrochloride

Database IDs

• MDL Number: MFCD22392060
• PubChem SID: 164295250
• PubChem CID: 71756391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4515414
• LogD (pH = 7.4): -2.194889
• Log P: 0.7859935
• Molar Refractivity: 34.1562 cm^3
• Polarizability: 13.200564 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.635

Product Information

• Purity: 95%