3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

• ChemBase ID: 246992
• Molecular Formular: C8H15F3N2
• Molecular Mass: 196.2133096
• Monoisotopic Mass: 196.11873315
• SMILES: C(CN1CC(NCC1)(C)C)(F)(F)F
• Canonical SMILES: FC(CN1CCNC(C1)(C)C)(F)F
• InChI: InChI=1S/C8H15F3N2/c1-7(2)5-13(4-3-12-7)6-8(9,10)11/h12H,3-6H2,1-2H3
• InChIKey: QPZMXULHSNQIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
• IUPAC Traditional name: 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
• Synonyms: 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

Database IDs

• MDL Number: MFCD20427165
• PubChem SID: 164302902
• PubChem CID: 64833235

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8483863
• LogD (pH = 7.4): -0.6689147
• Log P: 1.306489
• Molar Refractivity: 45.2506 cm^3
• Polarizability: 17.096403 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.423

Product Information

• Purity: 95%