1-(2,2,2-trifluoroethyl)piperazine hydrochloride

• ChemBase ID: 292054
• Molecular Formular: C6H12ClF3N2
• Molecular Mass: 204.6210896
• Monoisotopic Mass: 204.06411073
• SMILES: FC(F)(F)CN1CCNCC1.Cl
• Canonical SMILES: FC(CN1CCNCC1)(F)F.Cl
• InChI: InChI=1S/C6H11F3N2.ClH/c7-6(8,9)5-11-3-1-10-2-4-11;/h10H,1-5H2;1H
• InChIKey: KLOPWMOYEWBUOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2,2-trifluoroethyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(2,2,2-trifluoroethyl)piperazine hydrochloride
• Synonyms: 1-(2,2,2-Trifluoroethyl)piperazine hydrochloride

Database IDs

• CAS Number: 195447-63-3
• MDL Number: MFCD10595946
• PubChem SID: 180677585
• PubChem CID: 22281391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.506322
• LogD (pH = 7.4): -1.194549
• Log P: 0.60933733
• Molar Refractivity: 36.1936 cm^3
• Polarizability: 13.50883 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%