1-(2,3-difluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 121214
• Molecular Formular: C10H5F2NO2
• Molecular Mass: 209.1490064
• Monoisotopic Mass: 209.02883485
• SMILES: N1(c2c(c(F)ccc2)F)C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1cccc(c1F)F
• InChI: InChI=1S/C10H5F2NO2/c11-6-2-1-3-7(10(6)12)13-8(14)4-5-9(13)15/h1-5H
• InChIKey: MRURCHJKAAOYAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-difluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(2,3-difluorophenyl)pyrrole-2,5-dione
• Synonyms: 1-(2,3-difluorophenyl)-1H-pyrrole-2,5-dione

Database IDs

• PubChem SID: 162215567
• PubChem CID: 19076720

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.531135
• LogD (pH = 7.4): 1.5311354
• Log P: 1.5311354
• Molar Refractivity: 48.4585 cm^3
• Polarizability: 17.525715 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true