1-(2,2,2-trifluoro-1-phenylethyl)piperazine

• ChemBase ID: 273253
• Molecular Formular: C12H15F3N2
• Molecular Mass: 244.2561096
• Monoisotopic Mass: 244.11873315
• SMILES: C(C(N1CCNCC1)c1ccccc1)(F)(F)F
• Canonical SMILES: FC(C(c1ccccc1)N1CCNCC1)(F)F
• InChI: InChI=1S/C12H15F3N2/c13-12(14,15)11(10-4-2-1-3-5-10)17-8-6-16-7-9-17/h1-5,11,16H,6-9H2
• InChIKey: CQHRSOBOUDXSBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2,2-trifluoro-1-phenylethyl)piperazine
• IUPAC Traditional name: 1-(2,2,2-trifluoro-1-phenylethyl)piperazine
• Synonyms: 1-(2,2,2-trifluoro-1-phenylethyl)piperazine

Database IDs

• MDL Number: MFCD18838679
• PubChem SID: 164329163
• PubChem CID: 54592788

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.72161746
• LogD (pH = 7.4): 0.5914336
• Log P: 2.3935776
• Molar Refractivity: 60.4764 cm^3
• Polarizability: 22.882233 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.648

Product Information

• Purity: 95%