3-(2-fluoroethoxy)piperidine hydrochloride

• ChemBase ID: 47093
• Molecular Formular: C7H15ClFNO
• Molecular Mass: 183.6515032
• Monoisotopic Mass: 183.08262001
• SMILES: N1CC(OCCF)CCC1.Cl
• Canonical SMILES: FCCOC1CCCNC1.Cl
• InChI: InChI=1S/C7H14FNO.ClH/c8-3-5-10-7-2-1-4-9-6-7;/h7,9H,1-6H2;1H
• InChIKey: XFCWHCXTVGJLAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluoroethoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(2-fluoroethoxy)piperidine hydrochloride
• Synonyms: 2-Fluoroethyl 3-piperidinyl ether hydrochloride

Database IDs

• MDL Number: MFCD13560976
• PubChem SID: 162051856
• PubChem CID: 55280124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7637331
• LogD (pH = 7.4): -1.7754198
• Log P: 0.42670032
• Molar Refractivity: 37.5483 cm^3
• Polarizability: 14.835585 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