2-(4,4-difluoropiperidin-1-yl)ethan-1-amine

• ChemBase ID: 806712
• Molecular Formular: C7H14F2N2
• Molecular Mass: 164.1962664
• Monoisotopic Mass: 164.1125049
• SMILES: NCCN1CCC(CC1)(F)F
• Canonical SMILES: NCCN1CCC(CC1)(F)F
• InChI: InChI=1S/C7H14F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-6,10H2
• InChIKey: BVYNFUYPUXPMCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,4-difluoropiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,4-difluoropiperidin-1-yl)ethanamine
• Synonyms: 2-(4,4-DIFLUOROPIPERIDIN-1-YL)ETHYLAMINE

Database IDs

• CAS Number: 605659-03-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.206305
• LogD (pH = 7.4): -1.5224985
• Log P: 0.46290967
• Molar Refractivity: 39.5405 cm^3
• Polarizability: 15.424245 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%