1-(2,5-difluorophenyl)piperazine

• ChemBase ID: 235440
• Molecular Formular: C10H12F2N2
• Molecular Mass: 198.2124864
• Monoisotopic Mass: 198.09685483
• SMILES: c1(N2CCNCC2)cc(ccc1F)F
• Canonical SMILES: Fc1ccc(cc1N1CCNCC1)F
• InChI: InChI=1S/C10H12F2N2/c11-8-1-2-9(12)10(7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
• InChIKey: SWQMPOXIMTYXHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-difluorophenyl)piperazine
• IUPAC Traditional name: 1-(2,5-difluorophenyl)piperazine
• Synonyms: 1-(2,5-difluorophenyl)piperazine

Database IDs

• MDL Number: MFCD11872820
• PubChem SID: 164291350
• PubChem CID: 18545281

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1296058
• LogD (pH = 7.4): 0.43780962
• Log P: 1.8307652
• Molar Refractivity: 51.6748 cm^3
• Polarizability: 19.006279 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.101

Product Information

• Purity: 95%