2-methyl-2-(trifluoromethyl)piperidine

• ChemBase ID: 248566
• Molecular Formular: C7H12F3N
• Molecular Mass: 167.1720896
• Monoisotopic Mass: 167.09218405
• SMILES: C(C1(NCCCC1)C)(F)(F)F
• Canonical SMILES: CC1(CCCCN1)C(F)(F)F
• InChI: InChI=1S/C7H12F3N/c1-6(7(8,9)10)4-2-3-5-11-6/h11H,2-5H2,1H3
• InChIKey: NFFXKDZICOQUPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(trifluoromethyl)piperidine
• IUPAC Traditional name: 2-methyl-2-(trifluoromethyl)piperidine
• Synonyms: 2-methyl-2-(trifluoromethyl)piperidine

Database IDs

• PubChem SID: 164304476
• PubChem CID: 71758522

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6751542
• LogD (pH = 7.4): 1.9480553
• Log P: 1.9529276
• Molar Refractivity: 36.5939 cm^3
• Polarizability: 13.781484 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.147

Product Information

• Purity: null%