4-(2,4-difluorophenoxy)piperidine

• ChemBase ID: 265058
• Molecular Formular: C11H13F2NO
• Molecular Mass: 213.2238264
• Monoisotopic Mass: 213.09652048
• SMILES: c1(c(cc(cc1)F)F)OC1CCNCC1
• Canonical SMILES: Fc1ccc(c(c1)F)OC1CCNCC1
• InChI: InChI=1S/C11H13F2NO/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
• InChIKey: LJTKODIQFDAGSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-difluorophenoxy)piperidine
• IUPAC Traditional name: 4-(2,4-difluorophenoxy)piperidine
• Synonyms: 4-(2,4-difluorophenoxy)piperidine

Database IDs

• MDL Number: MFCD08687571
• PubChem SID: 164320968
• PubChem CID: 22397496

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.462662
• LogD (pH = 7.4): -0.6183422
• Log P: 1.7447367
• Molar Refractivity: 53.1104 cm^3
• Polarizability: 20.39339 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.948

Product Information

• Purity: 95%