6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

• ChemBase ID: 281447
• Molecular Formular: C6H11ClFN
• Molecular Mass: 151.6096432
• Monoisotopic Mass: 151.05640526
• SMILES: [C@H]12[C@H]([C@@H]1CF)CNC2.Cl
• Canonical SMILES: FC[C@@H]1[C@@H]2[C@H]1CNC2.Cl
• InChI: InChI=1S/C6H10FN.ClH/c7-1-4-5-2-8-3-6(4)5;/h4-6,8H,1-3H2;1H/t4-,5-,6+
• InChIKey: FPDSLCOFKNCANY-PMUIPKEJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride
• IUPAC Traditional name: 6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride
• Synonyms: (1R,5S)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride

Database IDs

• MDL Number: MFCD23097227
• PubChem SID: 180666978
• PubChem CID: 45792566

CALCULATED PROPERTIES

• Molar Refractivity: 29.4826 cm^3
• Polarizability: 11.558951 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.3863444
• LogD (pH = 7.4): -3.2690325
• Log P: -0.14604394

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.077

Product Information

• Purity: 95%