1-(2-chloro-4-fluorophenyl)piperazine

• ChemBase ID: 243820
• Molecular Formular: C10H12ClFN2
• Molecular Mass: 214.6670832
• Monoisotopic Mass: 214.06730429
• SMILES: c1(N2CCNCC2)c(cc(cc1)F)Cl
• Canonical SMILES: Fc1ccc(c(c1)Cl)N1CCNCC1
• InChI: InChI=1S/C10H12ClFN2/c11-9-7-8(12)1-2-10(9)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
• InChIKey: GQCTTYBMNBDCEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloro-4-fluorophenyl)piperazine
• IUPAC Traditional name: 1-(2-chloro-4-fluorophenyl)piperazine
• Synonyms: 1-(2-chloro-4-fluorophenyl)piperazine

Database IDs

• MDL Number: MFCD11872740
• PubChem SID: 164299730
• PubChem CID: 18423151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6939706
• LogD (pH = 7.4): 0.84628785
• Log P: 2.2921078
• Molar Refractivity: 56.2632 cm^3
• Polarizability: 21.193808 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.671

Product Information

• Purity: 95%