1-(2,2-difluoroethyl)piperidin-4-amine

• ChemBase ID: 265807
• Molecular Formular: C7H14F2N2
• Molecular Mass: 164.1962664
• Monoisotopic Mass: 164.1125049
• SMILES: N1(CC(F)F)CCC(CC1)N
• Canonical SMILES: FC(CN1CCC(CC1)N)F
• InChI: InChI=1S/C7H14F2N2/c8-7(9)5-11-3-1-6(10)2-4-11/h6-7H,1-5,10H2
• InChIKey: GNQSOMJHGLZMJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-difluoroethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(2,2-difluoroethyl)piperidin-4-amine
• Synonyms: 1-(2,2-difluoroethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD10699009
• PubChem SID: 164321717
• PubChem CID: 25252389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.279864
• LogD (pH = 7.4): -2.8389149
• Log P: -0.13231699
• Molar Refractivity: 39.9303 cm^3
• Polarizability: 15.423848 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.201

Product Information

• Purity: 95%