2-[(2,3-difluorophenyl)methyl]piperazine

• ChemBase ID: 807986
• Molecular Formular: C11H14F2N2
• Molecular Mass: 212.2390664
• Monoisotopic Mass: 212.1125049
• SMILES: C1(CNCCN1)Cc1c(c(ccc1)F)F
• Canonical SMILES: Fc1c(CC2CNCCN2)cccc1F
• InChI: InChI=1S/C11H14F2N2/c12-10-3-1-2-8(11(10)13)6-9-7-14-4-5-15-9/h1-3,9,14-15H,4-7H2
• InChIKey: MWGMOSHBKVKNBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,3-difluorophenyl)methyl]piperazine
• IUPAC Traditional name: 2-[(2,3-difluorophenyl)methyl]piperazine
• Synonyms: 2-(2,3-DIFLUORO-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5512741
• LogD (pH = 7.4): -0.12713066
• Log P: 1.6294985
• Molar Refractivity: 54.9194 cm^3
• Polarizability: 21.124302 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%