2-(2-fluorophenyl)piperazine

• ChemBase ID: 807776
• Molecular Formular: C10H13FN2
• Molecular Mass: 180.2220232
• Monoisotopic Mass: 180.10627665
• SMILES: C1(CNCCN1)c1c(cccc1)F
• Canonical SMILES: Fc1ccccc1C1CNCCN1
• InChI: InChI=1S/C10H13FN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2
• InChIKey: JMLSZQAVDKFFCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)piperazine
• IUPAC Traditional name: 2-(2-fluorophenyl)piperazine
• Synonyms: 2-(2-FLUOROPHENYL)PIPERAZINE

Database IDs

• CAS Number: 137684-18-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.730435
• LogD (pH = 7.4): -0.11051149
• Log P: 1.1981353
• Molar Refractivity: 49.948 cm^3
• Polarizability: 19.662098 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%