7-fluoro-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 94396
• Molecular Formular: C8H6FNO
• Molecular Mass: 151.1377432
• Monoisotopic Mass: 151.04334204
• SMILES: N1c2c(cccc2CC1=O)F
• Canonical SMILES: O=C1Cc2c(N1)c(F)ccc2
• InChI: InChI=1S/C8H6FNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11)
• InChIKey: VMUIOEOYZHJLEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 7-fluoro-1,3-dihydroindol-2-one
• Synonyms: 7-Fluorooxindole; 7-Fluoro-1,3-dihydro-indol-2-one; 7-Fluoroindolin-2-one; 1,3-Dihydro-7-fluoro-2H-indol-2-one; 7-Fluoro-2-oxindole 97%

Database IDs

• CAS Number: 71294-03-6
• MDL Number: MFCD02179608
• PubChem SID: 162081050
• PubChem CID: 3734371

CALCULATED PROPERTIES

• Acid pKa: 11.282793
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2147515
• LogD (pH = 7.4): 1.2146965
• Log P: 1.2147521
• Molar Refractivity: 39.8013 cm^3
• Polarizability: 14.184084 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188-190°C

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%; 97%