5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione

C10H8FNO3 — CID 14624170

IUPAC5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCO)c2ccc(F)cc21
InChIInChI=1S/C10H8FNO3/c11-6-1-2-8-7(5-6)9(14)10(15)12(8)3-4-13/h1-2,5,13H,3-4H2
InChIKeyUOUSOFNGSGTRBA-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.35
Rot. Bonds2

About 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione

5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione (PubChem CID 14624170) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
PubChem CID14624170
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCO)c2ccc(F)cc21
InChIInChI=1S/C10H8FNO3/c11-6-1-2-8-7(5-6)9(14)10(15)12(8)3-4-13/h1-2,5,13H,3-4H2
InChIKeyUOUSOFNGSGTRBA-UHFFFAOYSA-N
XLogP0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione?
The IUPAC name of 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione (CID 14624170) is 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione is O=C1C(=O)N(CCO)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione?
The InChIKey is UOUSOFNGSGTRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-6-1-2-8-7(5-6)9(14)10(15)12(8)3-4-13/h1-2,5,13H,3-4H2.
What are the key properties of 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione?
5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione has a molecular weight of 209.18 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione is sourced from PubChem (CID 14624170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).