4-(3-fluorophenyl)piperidine-2,6-dione

• ChemBase ID: 804079
• Molecular Formular: C11H10FNO2
• Molecular Mass: 207.2010032
• Monoisotopic Mass: 207.06955679
• SMILES: C1(CC(=O)NC(=O)C1)c1cc(ccc1)F
• Canonical SMILES: O=C1NC(=O)CC(C1)c1cccc(c1)F
• InChI: InChI=1S/C11H10FNO2/c12-9-3-1-2-7(4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)
• InChIKey: HHCHNRJQUCGHTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenyl)piperidine-2,6-dione
• IUPAC Traditional name: 4-(3-fluorophenyl)piperidine-2,6-dione
• Synonyms: 4-(3-FLUOROPHENYL)PIPERIDINE-2,6-DIONE

Database IDs

• CAS Number: 959246-81-2

CALCULATED PROPERTIES

• Acid pKa: 11.543858
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0146217
• LogD (pH = 7.4): 1.0145913
• Log P: 1.0146221
• Molar Refractivity: 51.7424 cm^3
• Polarizability: 19.808407 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%