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

C11H10FNO2S — CID 115579387

IUPAC5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
SMILESCSCCN1C(=O)C(=O)c2cc(F)ccc21
InChIInChI=1S/C11H10FNO2S/c1-16-5-4-13-9-3-2-7(12)6-8(9)10(14)11(13)15/h2-3,6H,4-5H2,1H3
InChIKeyLJGQSAKPLNLVRQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.72
Rot. Bonds3

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

5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione (PubChem CID 115579387) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
PubChem CID115579387
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
SMILESCSCCN1C(=O)C(=O)c2cc(F)ccc21
InChIInChI=1S/C11H10FNO2S/c1-16-5-4-13-9-3-2-7(12)6-8(9)10(14)11(13)15/h2-3,6H,4-5H2,1H3
InChIKeyLJGQSAKPLNLVRQ-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
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-methylsulfanylethyl)indole-2,3-dione?
The IUPAC name of 5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione (CID 115579387) is 5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione is CSCCN1C(=O)C(=O)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione?
The InChIKey is LJGQSAKPLNLVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-16-5-4-13-9-3-2-7(12)6-8(9)10(14)11(13)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione?
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione has a molecular weight of 239.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione is sourced from PubChem (CID 115579387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).