6,6-difluoro-3-azabicyclo[3.1.0]hexane

• ChemBase ID: 267421
• Molecular Formular: C5H7F2N
• Molecular Mass: 119.1125864
• Monoisotopic Mass: 119.05465567
• SMILES: C1(C2C1CNC2)(F)F
• Canonical SMILES: FC1(F)C2C1CNC2
• InChI: InChI=1S/C5H7F2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2
• InChIKey: GHBUVDSNXSMDMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-difluoro-3-azabicyclo[3.1.0]hexane
• IUPAC Traditional name: 6,6-difluoro-3-azabicyclo[3.1.0]hexane
• Synonyms: 6,6-difluoro-3-azabicyclo[3.1.0]hexane

Database IDs

• MDL Number: MFCD15209754
• PubChem SID: 164323331
• PubChem CID: 45158913

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.949491
• LogD (pH = 7.4): -2.2901013
• Log P: 0.27228606
• Molar Refractivity: 24.5382 cm^3
• Polarizability: 9.602698 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.483

Product Information

• Purity: 95%