(2R)-2-[(3,5-difluorophenyl)methyl]piperazine

• ChemBase ID: 808000
• Molecular Formular: C11H14F2N2
• Molecular Mass: 212.2390664
• Monoisotopic Mass: 212.1125049
• SMILES: [C@H]1(CNCCN1)Cc1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(C[C@H]2NCCNC2)cc(c1)F
• InChI: InChI=1S/C11H14F2N2/c12-9-3-8(4-10(13)6-9)5-11-7-14-1-2-15-11/h3-4,6,11,14-15H,1-2,5,7H2/t11-/m1/s1
• InChIKey: VEUCYZAOGHEBBH-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(3,5-difluorophenyl)methyl]piperazine
• IUPAC Traditional name: (2R)-2-[(3,5-difluorophenyl)methyl]piperazine
• Synonyms: (R)-2-(3,5-DIFLUORO-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5870544
• LogD (pH = 7.4): -0.19934712
• Log P: 1.6294985
• Molar Refractivity: 54.9194 cm^3
• Polarizability: 21.125086 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%