(2S)-2-(trifluoromethyl)piperazine

• ChemBase ID: 808081
• Molecular Formular: C5H9F3N2
• Molecular Mass: 154.1335696
• Monoisotopic Mass: 154.07178296
• SMILES: [C@H]1(CNCCN1)C(F)(F)F
• Canonical SMILES: FC([C@H]1NCCNC1)(F)F
• InChI: InChI=1S/C5H9F3N2/c6-5(7,8)4-3-9-1-2-10-4/h4,9-10H,1-3H2/t4-/m0/s1
• InChIKey: YNEJOOCZWXGXDU-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(trifluoromethyl)piperazine
• IUPAC Traditional name: (2S)-2-(trifluoromethyl)piperazine
• Synonyms: (S)-2-TRIFLUOROMETHYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2500706
• LogD (pH = 7.4): -0.516813
• Log P: 0.2860565
• Molar Refractivity: 30.5691 cm^3
• Polarizability: 11.731113 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%