3-(2-fluoroethyl)piperidine

• ChemBase ID: 50205
• Molecular Formular: C7H14FN
• Molecular Mass: 131.1911632
• Monoisotopic Mass: 131.11102767
• SMILES: N1CC(CCF)CCC1
• Canonical SMILES: FCCC1CCCNC1
• InChI: InChI=1S/C7H14FN/c8-4-3-7-2-1-5-9-6-7/h7,9H,1-6H2
• InChIKey: WNRPLKJFUULNFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluoroethyl)piperidine
• IUPAC Traditional name: 3-(2-fluoroethyl)piperidine
• Synonyms: 3-(2-Fluoroethyl)piperidine

Database IDs

• CAS Number: 1219960-39-0
• MDL Number: MFCD10000576
• PubChem SID: 162054968
• PubChem CID: 53409224

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3128736
• LogD (pH = 7.4): -1.9366251
• Log P: 0.92144233
• Molar Refractivity: 36.1446 cm^3
• Polarizability: 14.107238 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false