3-[(2-fluoroethoxy)methyl]piperidine hydrochloride

• ChemBase ID: 47095
• Molecular Formular: C8H17ClFNO
• Molecular Mass: 197.6780832
• Monoisotopic Mass: 197.09827007
• SMILES: N1CC(COCCF)CCC1.Cl
• Canonical SMILES: FCCOCC1CCCNC1.Cl
• InChI: InChI=1S/C8H16FNO.ClH/c9-3-5-11-7-8-2-1-4-10-6-8;/h8,10H,1-7H2;1H
• InChIKey: WRINHLWHGNGMTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluoroethoxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 3-[(2-fluoroethoxy)methyl]piperidine hydrochloride
• Synonyms: 3-[(2-Fluoroethoxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560978
• PubChem SID: 162051858
• PubChem CID: 53409397

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7577772
• LogD (pH = 7.4): -2.2428365
• Log P: 0.47145486
• Molar Refractivity: 42.4883 cm^3
• Polarizability: 16.664541 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false