1-(pentafluorophenyl)piperazine

• ChemBase ID: 258109
• Molecular Formular: C10H9F5N2
• Molecular Mass: 252.183876
• Monoisotopic Mass: 252.0685894
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)N1CCNCC1
• Canonical SMILES: Fc1c(N2CCNCC2)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C10H9F5N2/c11-5-6(12)8(14)10(9(15)7(5)13)17-3-1-16-2-4-17/h16H,1-4H2
• InChIKey: IXHIQLUASOVALJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pentafluorophenyl)piperazine
• IUPAC Traditional name: 1-(pentafluorophenyl)piperazine
• Synonyms: 1-(2,3,4,5,6-pentafluorophenyl)piperazine

Database IDs

• MDL Number: MFCD05843336
• PubChem SID: 164314019
• PubChem CID: 2561708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6591811
• LogD (pH = 7.4): 0.94560754
• Log P: 2.258871
• Molar Refractivity: 52.324 cm^3
• Polarizability: 18.564293 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 1.847

Product Information

• Purity: 95%