4-methoxy-4-(trifluoromethyl)piperidine

• ChemBase ID: 282786
• Molecular Formular: C7H12F3NO
• Molecular Mass: 183.1714896
• Monoisotopic Mass: 183.08709867
• SMILES: C(C1(CCNCC1)OC)(F)(F)F
• Canonical SMILES: COC1(CCNCC1)C(F)(F)F
• InChI: InChI=1S/C7H12F3NO/c1-12-6(7(8,9)10)2-4-11-5-3-6/h11H,2-5H2,1H3
• InChIKey: QANLUEMLYOYQIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-4-(trifluoromethyl)piperidine
• IUPAC Traditional name: 4-methoxy-4-(trifluoromethyl)piperidine
• Synonyms: 4-methoxy-4-(trifluoromethyl)piperidine

Database IDs

• MDL Number: MFCD20441668
• PubChem SID: 180668317
• PubChem CID: 54595514

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5705829
• LogD (pH = 7.4): -1.8503315
• Log P: 0.6471726
• Molar Refractivity: 38.5086 cm^3
• Polarizability: 14.574468 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.257

Product Information

• Purity: 95%