5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione

C11H10FNO2S — CID 80757874

IUPAC5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione
SMILESCC(C)Sc1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C11H10FNO2S/c1-5(2)16-9-4-8-6(3-7(9)12)10(14)11(15)13-8/h3-5H,1-2H3,(H,13,14,15)
InChIKeyVYVNYNMNNZUHJU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.46
Rot. Bonds2

About 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione

5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione (PubChem CID 80757874) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione
PubChem CID80757874
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione
SMILESCC(C)Sc1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C11H10FNO2S/c1-5(2)16-9-4-8-6(3-7(9)12)10(14)11(15)13-8/h3-5H,1-2H3,(H,13,14,15)
InChIKeyVYVNYNMNNZUHJU-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.46
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-6-propan-2-ylsulfanyl-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione (CID 80757874) is 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione is CC(C)Sc1cc2c(cc1F)C(=O)C(=O)N2.
What is the InChIKey of 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione?
The InChIKey is VYVNYNMNNZUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-5(2)16-9-4-8-6(3-7(9)12)10(14)11(15)13-8/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione?
5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione has a molecular weight of 239.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propan-2-ylsulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 80757874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).