7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one

C9H8FNO2 — CID 84657706

IUPAC7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(F)cc(O)cc21
InChIInChI=1S/C9H8FNO2/c1-4-6-2-5(12)3-7(10)8(6)11-9(4)13/h2-4,12H,1H3,(H,11,13)
InChIKeyOGZSNXJDSOATIW-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.59
Rot. Bonds

About 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one

7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one (PubChem CID 84657706) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one
PubChem CID84657706
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(F)cc(O)cc21
InChIInChI=1S/C9H8FNO2/c1-4-6-2-5(12)3-7(10)8(6)11-9(4)13/h2-4,12H,1H3,(H,11,13)
InChIKeyOGZSNXJDSOATIW-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one (CID 84657706) is 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c(F)cc(O)cc21.
What is the InChIKey of 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is OGZSNXJDSOATIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-4-6-2-5(12)3-7(10)8(6)11-9(4)13/h2-4,12H,1H3,(H,11,13).
What are the key properties of 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one?
7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 181.17 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 84657706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).