4-(2-fluorophenoxy)piperidine

• ChemBase ID: 30775
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: c1(OC2CCNCC2)c(F)cccc1
• Canonical SMILES: Fc1ccccc1OC1CCNCC1
• InChI: InChI=1S/C11H14FNO/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
• InChIKey: MGLFLCJKTMPKSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenoxy)piperidine
• IUPAC Traditional name: 4-(2-fluorophenoxy)piperidine
• Synonyms: 4-(2-fluorophenoxy)piperidine; 4-(2-Fluoro-phenoxy)-piperidine

Database IDs

• CAS Number: 3623-02-7; 629352
• MDL Number: MFCD06247707
• PubChem SID: 160994082
• PubChem CID: 16731692

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.605364
• LogD (pH = 7.4): -0.76104414
• Log P: 1.6020347
• Molar Refractivity: 52.894 cm^3
• Polarizability: 20.665693 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%