1-ethyl-5-fluoro-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 307771
• Molecular Formular: C10H8FNO2
• Molecular Mass: 193.1744232
• Monoisotopic Mass: 193.05390672
• SMILES: C1(=O)N(c2c(C1=O)cc(cc2)F)CC
• Canonical SMILES: CCN1c2ccc(cc2C(=O)C1=O)F
• InChI: InChI=1S/C10H8FNO2/c1-2-12-8-4-3-6(11)5-7(8)9(13)10(12)14/h3-5H,2H2,1H3
• InChIKey: FKXXSAUARGEYGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-5-fluoro-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 1-ethyl-5-fluoroindole-2,3-dione
• Synonyms: 1-ethyl-5-fluoro-1H-indole-2,3-dione

Database IDs

• CAS Number: 776-47-6
• MDL Number: MFCD06496384

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3151195
• LogD (pH = 7.4): 1.3151195
• Log P: 1.3151195
• Molar Refractivity: 48.5559 cm^3
• Polarizability: 17.949652 Å^3
• Polar Surface Area: 37.38 Å^2