1-(2-fluoroethyl)piperazine dihydrochloride

• ChemBase ID: 293172
• Molecular Formular: C6H15Cl2FN2
• Molecular Mass: 205.1011032
• Monoisotopic Mass: 204.05963207
• SMILES: FCCN1CCNCC1.Cl.Cl
• Canonical SMILES: FCCN1CCNCC1.Cl.Cl
• InChI: InChI=1S/C6H13FN2.2ClH/c7-1-4-9-5-2-8-3-6-9;;/h8H,1-6H2;2*1H
• InChIKey: XOKDQVTYEGBKCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluoroethyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(2-fluoroethyl)piperazine dihydrochloride
• Synonyms: 1-(2-Fluoroethyl)piperazine dihydrochloride

Database IDs

• CAS Number: 1089279-64-0
• PubChem SID: 180678703
• PubChem CID: 66545688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2753656
• LogD (pH = 7.4): -1.9584167
• Log P: -0.14476913
• Molar Refractivity: 35.3437 cm^3
• Polarizability: 13.802718 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%