8,8-difluoro-3-azabicyclo[3.2.1]octane

• ChemBase ID: 282097
• Molecular Formular: C7H11F2N
• Molecular Mass: 147.1657464
• Monoisotopic Mass: 147.0859558
• SMILES: C1(C2CCC1CNC2)(F)F
• Canonical SMILES: FC1(F)C2CNCC1CC2
• InChI: InChI=1S/C7H11F2N/c8-7(9)5-1-2-6(7)4-10-3-5/h5-6,10H,1-4H2
• InChIKey: ARZGRQADWCHYAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8,8-difluoro-3-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 8,8-difluoro-3-azabicyclo[3.2.1]octane
• Synonyms: 8,8-difluoro-3-azabicyclo[3.2.1]octane

Database IDs

• MDL Number: MFCD17016737
• PubChem SID: 180667628
• PubChem CID: 50989410

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0111427
• LogD (pH = 7.4): -0.91419524
• Log P: 1.1614233
• Molar Refractivity: 33.7402 cm^3
• Polarizability: 13.200626 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%