3-fluoro-3-methylpiperidine

• ChemBase ID: 245608
• Molecular Formular: C6H12FN
• Molecular Mass: 117.1645832
• Monoisotopic Mass: 117.09537761
• SMILES: N1CC(F)(C)CCC1
• Canonical SMILES: CC1(F)CCCNC1
• InChI: InChI=1S/C6H12FN/c1-6(7)3-2-4-8-5-6/h8H,2-5H2,1H3
• InChIKey: ZNUPLHUOEAEDIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-3-methylpiperidine
• IUPAC Traditional name: 3-fluoro-3-methylpiperidine
• Synonyms: 3-fluoro-3-methylpiperidine

Database IDs

• MDL Number: MFCD23144104
• PubChem SID: 164301518
• PubChem CID: 58458216

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2669477
• LogD (pH = 7.4): -0.77076817
• Log P: 0.7542525
• Molar Refractivity: 31.143 cm^3
• Polarizability: 12.273852 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.297

Product Information

• Purity: null%