3-(2,2,2-trifluoroethoxy)piperidine

• ChemBase ID: 255484
• Molecular Formular: C7H12F3NO
• Molecular Mass: 183.1714896
• Monoisotopic Mass: 183.08709867
• SMILES: C(COC1CNCCC1)(F)(F)F
• Canonical SMILES: FC(COC1CCCNC1)(F)F
• InChI: InChI=1S/C7H12F3NO/c8-7(9,10)5-12-6-2-1-3-11-4-6/h6,11H,1-5H2
• InChIKey: LGGONXZZCBEARG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,2,2-trifluoroethoxy)piperidine
• IUPAC Traditional name: 3-(2,2,2-trifluoroethoxy)piperidine
• Synonyms: 3-(2,2,2-trifluoroethoxy)piperidine

Database IDs

• MDL Number: MFCD09971599
• PubChem SID: 164311394
• PubChem CID: 43423800

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0096006
• LogD (pH = 7.4): -1.021104
• Log P: 1.1808068
• Molar Refractivity: 38.3982 cm^3
• Polarizability: 14.574321 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.538

Product Information

• Purity: 95%