4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one

C9H8FNO2 — CID 61361232

IUPAC4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(F)c2c1NC(=O)C2O
InChIInChI=1S/C9H8FNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3,8,12H,1H3,(H,11,13)
InChIKeyAQCDTJGRNKUQNX-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.12
Rot. Bonds

About 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one

4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one (PubChem CID 61361232) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one
PubChem CID61361232
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(F)c2c1NC(=O)C2O
InChIInChI=1S/C9H8FNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3,8,12H,1H3,(H,11,13)
InChIKeyAQCDTJGRNKUQNX-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one (CID 61361232) is 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one is Cc1ccc(F)c2c1NC(=O)C2O.
What is the InChIKey of 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is AQCDTJGRNKUQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3,8,12H,1H3,(H,11,13).
What are the key properties of 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one?
4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 181.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 61361232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).