(2R)-2-[(2,6-difluorophenyl)methyl]piperazine

• ChemBase ID: 805855
• Molecular Formular: C11H14F2N2
• Molecular Mass: 212.2390664
• Monoisotopic Mass: 212.1125049
• SMILES: [C@H]1(CNCCN1)Cc1c(cccc1F)F
• Canonical SMILES: Fc1cccc(c1C[C@H]1NCCNC1)F
• InChI: InChI=1S/C11H14F2N2/c12-10-2-1-3-11(13)9(10)6-8-7-14-4-5-15-8/h1-3,8,14-15H,4-7H2/t8-/m1/s1
• InChIKey: WWFLQWGLPTUXRW-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(2,6-difluorophenyl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-[(2,6-difluorophenyl)methyl]piperazine
• Synonyms: (R)-2-(2,6-DIFLUORO-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5108203
• LogD (pH = 7.4): -0.048677772
• Log P: 1.6294985
• Molar Refractivity: 54.9194 cm^3
• Polarizability: 21.127737 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%