(2R)-2-[(2,5-difluorophenyl)methyl]piperazine

• ChemBase ID: 807994
• Molecular Formular: C11H14F2N2
• Molecular Mass: 212.2390664
• Monoisotopic Mass: 212.1125049
• SMILES: [C@H]1(CNCCN1)Cc1c(ccc(c1)F)F
• Canonical SMILES: Fc1ccc(cc1C[C@@H]1CNCCN1)F
• InChI: InChI=1S/C11H14F2N2/c12-9-1-2-11(13)8(5-9)6-10-7-14-3-4-15-10/h1-2,5,10,14-15H,3-4,6-7H2/t10-/m1/s1
• InChIKey: KMILWZSOMDFKSW-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(2,5-difluorophenyl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-[(2,5-difluorophenyl)methyl]piperazine
• Synonyms: (R)-2-(2,5-DIFLUORO-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5466499
• LogD (pH = 7.4): -0.11850949
• Log P: 1.6294985
• Molar Refractivity: 54.9194 cm^3
• Polarizability: 21.126814 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%