4-(2-chloro-4-fluorophenoxy)piperidine

• ChemBase ID: 15315
• Molecular Formular: C11H13ClFNO
• Molecular Mass: 229.6784232
• Monoisotopic Mass: 229.06696994
• SMILES: c1(c(cc(cc1)F)Cl)OC1CCNCC1
• Canonical SMILES: Fc1ccc(c(c1)Cl)OC1CCNCC1
• InChI: InChI=1S/C11H13ClFNO/c12-10-7-8(13)1-2-11(10)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
• InChIKey: LZIIPYMGXICIBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloro-4-fluorophenoxy)piperidine
• IUPAC Traditional name: 4-(2-chloro-4-fluorophenoxy)piperidine
• Synonyms: 4-(2-Chloro-4-fluorophenoxy)piperidine

Database IDs

• MDL Number: MFCD06246261
• PubChem SID: 160978622
• PubChem CID: 22397426

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0013193
• LogD (pH = 7.4): -0.15700011
• Log P: 2.2060792
• Molar Refractivity: 57.6988 cm^3
• Polarizability: 22.596106 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