2-(7-fluoro-2-methyl-1H-indol-3-yl)acetic acid

• ChemBase ID: 306911
• Molecular Formular: C11H10FNO2
• Molecular Mass: 207.2010032
• Monoisotopic Mass: 207.06955679
• SMILES: [nH]1c(c(c2c1c(F)ccc2)CC(=O)O)C
• Canonical SMILES: OC(=O)Cc1c(C)[nH]c2c1cccc2F
• InChI: InChI=1S/C11H10FNO2/c1-6-8(5-10(14)15)7-3-2-4-9(12)11(7)13-6/h2-4,13H,5H2,1H3,(H,14,15)
• InChIKey: PSLVJYXNRARBKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-fluoro-2-methyl-1H-indol-3-yl)acetic acid
• IUPAC Traditional name: (7-fluoro-2-methyl-1H-indol-3-yl)acetic acid
• Synonyms: (7-fluoro-2-methyl-1H-indol-3-yl)acetic acid

Database IDs

• CAS Number: 383131-67-7
• MDL Number: MFCD02664376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.86738044
• LogD (pH = 7.4): -0.8794394
• Log P: 2.0520194
• Molar Refractivity: 53.8182 cm^3
• Polarizability: 21.150843 Å^3
• Polar Surface Area: 53.09 Å^2