2-(2,5-difluorophenyl)piperazine

• ChemBase ID: 807831
• Molecular Formular: C10H12F2N2
• Molecular Mass: 198.2124864
• Monoisotopic Mass: 198.09685483
• SMILES: C1(CNCCN1)c1c(ccc(c1)F)F
• Canonical SMILES: Fc1ccc(cc1C1CNCCN1)F
• InChI: InChI=1S/C10H12F2N2/c11-7-1-2-9(12)8(5-7)10-6-13-3-4-14-10/h1-2,5,10,13-14H,3-4,6H2
• InChIKey: QFQMVULSEXHYNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-difluorophenyl)piperazine
• IUPAC Traditional name: 2-(2,5-difluorophenyl)piperazine
• Synonyms: 2-(2,5-DIFLUORO-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.514402
• LogD (pH = 7.4): 0.14530198
• Log P: 1.3408372
• Molar Refractivity: 50.1644 cm^3
• Polarizability: 19.366203 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%