4-fluoro-4-methylpiperidine

• ChemBase ID: 245609
• Molecular Formular: C6H12FN
• Molecular Mass: 117.1645832
• Monoisotopic Mass: 117.09537761
• SMILES: C1(F)(CCNCC1)C
• Canonical SMILES: CC1(F)CCNCC1
• InChI: InChI=1S/C6H12FN/c1-6(7)2-4-8-5-3-6/h8H,2-5H2,1H3
• InChIKey: JLXVITLYWGUPQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-4-methylpiperidine
• IUPAC Traditional name: 4-fluoro-4-methylpiperidine
• Synonyms: 4-fluoro-4-methylpiperidine

Database IDs

• MDL Number: MFCD19218814
• PubChem SID: 164301519
• PubChem CID: 21037007

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9113739
• LogD (pH = 7.4): -2.075629
• Log P: 0.29684955
• Molar Refractivity: 31.3638 cm^3
• Polarizability: 12.273734 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.147

Product Information

• Purity: null%