4-[(2,2,2-trifluoroethoxy)methyl]piperidine hydrochloride

• ChemBase ID: 261357
• Molecular Formular: C8H15ClF3NO
• Molecular Mass: 233.6590096
• Monoisotopic Mass: 233.07942645
• SMILES: C(F)(F)(F)COCC1CCNCC1.Cl
• Canonical SMILES: FC(COCC1CCNCC1)(F)F.Cl
• InChI: InChI=1S/C8H14F3NO.ClH/c9-8(10,11)6-13-5-7-1-3-12-4-2-7;/h7,12H,1-6H2;1H
• InChIKey: UUTPPMRPFBIDRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,2,2-trifluoroethoxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[(2,2,2-trifluoroethoxy)methyl]piperidine hydrochloride
• Synonyms: 4-[(2,2,2-trifluoroethoxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD12912869
• PubChem SID: 164317267
• PubChem CID: 45791781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.047417
• LogD (pH = 7.4): -1.5866623
• Log P: 1.1840047
• Molar Refractivity: 43.437 cm^3
• Polarizability: 16.360394 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.836

Product Information

• Purity: 95%