(2S)-2-(3,5-difluorophenyl)piperazine

• ChemBase ID: 807841
• Molecular Formular: C10H12F2N2
• Molecular Mass: 198.2124864
• Monoisotopic Mass: 198.09685483
• SMILES: [C@@H]1(CNCCN1)c1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(cc(c1)F)[C@@H]1NCCNC1
• InChI: InChI=1S/C10H12F2N2/c11-8-3-7(4-9(12)5-8)10-6-13-1-2-14-10/h3-5,10,13-14H,1-2,6H2/t10-/m1/s1
• InChIKey: DCDPZMVOVFAINN-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(3,5-difluorophenyl)piperazine
• IUPAC Traditional name: (2S)-2-(3,5-difluorophenyl)piperazine
• Synonyms: (2S)-2-(3,5-DIFLUOROPHENYL)PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6320169
• LogD (pH = 7.4): -0.03635839
• Log P: 1.3408372
• Molar Refractivity: 50.1644 cm^3
• Polarizability: 19.365946 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%