3-(2-fluoroethoxy)pyrrolidine hydrochloride

• ChemBase ID: 47097
• Molecular Formular: C6H13ClFNO
• Molecular Mass: 169.6249232
• Monoisotopic Mass: 169.06696994
• SMILES: N1CCC(OCCF)C1.Cl
• Canonical SMILES: FCCOC1CNCC1.Cl
• InChI: InChI=1S/C6H12FNO.ClH/c7-2-4-9-6-1-3-8-5-6;/h6,8H,1-5H2;1H
• InChIKey: LVBWXWDTJYWEOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluoroethoxy)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-(2-fluoroethoxy)pyrrolidine hydrochloride
• Synonyms: 3-(2-Fluoroethoxy)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD13560980
• PubChem SID: 162051860
• PubChem CID: 53409222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.324831
• LogD (pH = 7.4): -2.9438453
• Log P: -0.09066235
• Molar Refractivity: 32.9037 cm^3
• Polarizability: 13.010647 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false