1-(2,2-difluoroethyl)piperazine

• ChemBase ID: 265869
• Molecular Formular: C6H12F2N2
• Molecular Mass: 150.1696864
• Monoisotopic Mass: 150.09685483
• SMILES: N1(CC(F)F)CCNCC1
• Canonical SMILES: FC(CN1CCNCC1)F
• InChI: InChI=1S/C6H12F2N2/c7-6(8)5-10-3-1-9-2-4-10/h6,9H,1-5H2
• InChIKey: JIARBLBYLGYCBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08696507
• PubChem SID: 164321779
• PubChem CID: 19622797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9953074
• LogD (pH = 7.4): -1.6835742
• Log P: 0.12057685
• Molar Refractivity: 35.3039 cm^3
• Polarizability: 13.610466 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.337

Product Information

• Purity: 95%