6,6-difluoro-2-azaspiro[3.3]heptane

• ChemBase ID: 282767
• Molecular Formular: C6H9F2N
• Molecular Mass: 133.1391664
• Monoisotopic Mass: 133.07030573
• SMILES: C1(CC2(C1)CNC2)(F)F
• Canonical SMILES: FC1(F)CC2(C1)CNC2
• InChI: InChI=1S/C6H9F2N/c7-6(8)1-5(2-6)3-9-4-5/h9H,1-4H2
• InChIKey: HSTZDPVQCODIFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-difluoro-2-azaspiro[3.3]heptane
• IUPAC Traditional name: 6,6-difluoro-2-azaspiro[3.3]heptane
• Synonyms: 6,6-difluoro-2-azaspiro[3.3]heptane

Database IDs

• MDL Number: MFCD20441660
• PubChem SID: 180668298
• PubChem CID: 54595502

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.0958722
• LogD (pH = 7.4): -2.6190686
• Log P: 0.13493043
• Molar Refractivity: 29.7437 cm^3
• Polarizability: 11.396048 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.076

Product Information

• Purity: 95%