3-amino-6-fluoro-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 307099
• Molecular Formular: C8H7FN2O
• Molecular Mass: 166.1523832
• Monoisotopic Mass: 166.05424107
• SMILES: N1C(=O)C(c2c1cc(cc2)F)N
• Canonical SMILES: O=C1Nc2c(C1N)ccc(c2)F
• InChI: InChI=1S/C8H7FN2O/c9-4-1-2-5-6(3-4)11-8(12)7(5)10/h1-3,7H,10H2,(H,11,12)
• InChIKey: VLZOVMFWVXRIEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-6-fluoro-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 3-amino-6-fluoro-1,3-dihydroindol-2-one
• Synonyms: 3-amino-6-fluoro-1,3-dihydro-2H-indol-2-one

Database IDs

• MDL Number: MFCD08166732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5338075
• LogD (pH = 7.4): 0.06276737
• Log P: 0.39271188
• Molar Refractivity: 42.797 cm^3
• Polarizability: 15.70971 Å^3
• Polar Surface Area: 55.12 Å^2