(2S)-2-(3,4-difluorophenyl)piperazine

• ChemBase ID: 807838
• Molecular Formular: C10H12F2N2
• Molecular Mass: 198.2124864
• Monoisotopic Mass: 198.09685483
• SMILES: [C@@H]1(CNCCN1)c1cc(c(cc1)F)F
• Canonical SMILES: Fc1ccc(cc1F)[C@H]1CNCCN1
• InChI: InChI=1S/C10H12F2N2/c11-8-2-1-7(5-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13-14H,3-4,6H2/t10-/m1/s1
• InChIKey: FFUWDWPFULAFLD-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(3,4-difluorophenyl)piperazine
• IUPAC Traditional name: (2S)-2-(3,4-difluorophenyl)piperazine
• Synonyms: (2S)-2-(3,4-DIFLUOROPHENYL)PIPERAZINE

CALCULATED PROPERTIES

• Polarizability: 19.363878 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6707239
• LogD (pH = 7.4): -0.106474966
• Log P: 1.3408372
• Molar Refractivity: 50.1644 cm^3

PROPERTIES

Product Information

• Purity: 98%