6-amino-2,2-difluorobicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride

• ChemBase ID: 239250
• Molecular Formular: C7H10ClF2NO2
• Molecular Mass: 213.6096064
• Monoisotopic Mass: 213.03681269
• SMILES: C12C(C1CCC2(F)F)(C(=O)O)N.Cl
• Canonical SMILES: OC(=O)C1(N)C2C1C(CC2)(F)F.Cl
• InChI: InChI=1S/C7H9F2NO2.ClH/c8-6(9)2-1-3-4(6)7(3,10)5(11)12;/h3-4H,1-2,10H2,(H,11,12);1H
• InChIKey: GORAHAZVHFBLOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2,2-difluorobicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride
• IUPAC Traditional name: 6-amino-2,2-difluorobicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride
• Synonyms: 6-amino-2,2-difluorobicyclo[3.1.0]hexane-6-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD22378708
• PubChem SID: 164295160
• PubChem CID: 71756371

CALCULATED PROPERTIES

• Acid pKa: 1.9152216
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1431186
• LogD (pH = 7.4): -2.148566
• Log P: -2.1432083
• Molar Refractivity: 35.1762 cm^3
• Polarizability: 13.955844 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.213

Product Information

• Purity: 95%