1-(2-fluoroethyl)piperazine hydrochloride

• ChemBase ID: 294753
• Molecular Formular: C6H14ClFN2
• Molecular Mass: 168.6401632
• Monoisotopic Mass: 168.08295436
• SMILES: FCCN1CCNCC1.Cl
• Canonical SMILES: FCCN1CCNCC1.Cl
• InChI: InChI=1S/C6H13FN2.ClH/c7-1-4-9-5-2-8-3-6-9;/h8H,1-6H2;1H
• InChIKey: LFRPLLDKPVAJTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 184042-60-2
• MDL Number: MFCD14584708
• PubChem SID: 180680284
• PubChem CID: 22281452

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+%