2-(2,6-difluorophenyl)piperazine

• ChemBase ID: 807834
• Molecular Formular: C10H12F2N2
• Molecular Mass: 198.2124864
• Monoisotopic Mass: 198.09685483
• SMILES: C1(CNCCN1)c1c(cccc1F)F
• Canonical SMILES: Fc1cccc(c1C1NCCNC1)F
• InChI: InChI=1S/C10H12F2N2/c11-7-2-1-3-8(12)10(7)9-6-13-4-5-14-9/h1-3,9,13-14H,4-6H2
• InChIKey: GLLZGLHNMJHVSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-difluorophenyl)piperazine
• IUPAC Traditional name: 2-(2,6-difluorophenyl)piperazine
• Synonyms: 2-(2,6-DIFLUORO-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.412548
• LogD (pH = 7.4): 0.28548878
• Log P: 1.3408372
• Molar Refractivity: 50.1644 cm^3
• Polarizability: 19.365665 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%