2-(2,3-difluorophenyl)piperazine

• ChemBase ID: 807825
• Molecular Formular: C10H12F2N2
• Molecular Mass: 198.2124864
• Monoisotopic Mass: 198.09685483
• SMILES: C1(CNCCN1)c1c(c(ccc1)F)F
• Canonical SMILES: Fc1c(C2CNCCN2)cccc1F
• InChI: InChI=1S/C10H12F2N2/c11-8-3-1-2-7(10(8)12)9-6-13-4-5-14-9/h1-3,9,13-14H,4-6H2
• InChIKey: HZHDLLBBPWHJHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-difluorophenyl)piperazine
• IUPAC Traditional name: 2-(2,3-difluorophenyl)piperazine
• Synonyms: 2-(2,3-DIFLUORO-PHENYL)-PIPERAZINE

Database IDs

• CAS Number: 910444-49-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5255433
• LogD (pH = 7.4): 0.12828879
• Log P: 1.3408372
• Molar Refractivity: 50.1644 cm^3
• Polarizability: 19.363724 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%