2-(2,2,2-trifluoroethyl)piperazine

• ChemBase ID: 807745
• Molecular Formular: C6H11F3N2
• Molecular Mass: 168.1601496
• Monoisotopic Mass: 168.08743302
• SMILES: C1(CNCCN1)CC(F)(F)F
• Canonical SMILES: FC(CC1NCCNC1)(F)F
• InChI: InChI=1S/C6H11F3N2/c7-6(8,9)3-5-4-10-1-2-11-5/h5,10-11H,1-4H2
• InChIKey: FAXXAILEMUPCBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2,2-trifluoroethyl)piperazine
• IUPAC Traditional name: 2-(2,2,2-trifluoroethyl)piperazine
• Synonyms: 2-(2,2,2-TRIFLUORO-ETHYL)-PIPERAZINE

Database IDs

• CAS Number: 910444-24-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.028533
• LogD (pH = 7.4): -1.6967851
• Log P: 0.2589925
• Molar Refractivity: 35.0209 cm^3
• Polarizability: 13.508468 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%