7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione

C15H10FNO3S — CID 62023101

IUPAC7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CC(=O)c1cccs1
InChIInChI=1S/C15H10FNO3S/c1-8-5-9-13(10(16)6-8)17(15(20)14(9)19)7-11(18)12-3-2-4-21-12/h2-6H,7H2,1H3
InChIKeyORPYKBJASNBRJD-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.61
Rot. Bonds3

About 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione

7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione (PubChem CID 62023101) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
PubChem CID62023101
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CC(=O)c1cccs1
InChIInChI=1S/C15H10FNO3S/c1-8-5-9-13(10(16)6-8)17(15(20)14(9)19)7-11(18)12-3-2-4-21-12/h2-6H,7H2,1H3
InChIKeyORPYKBJASNBRJD-UHFFFAOYSA-N
XLogP2.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione?
The IUPAC name of 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione (CID 62023101) is 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione.
What is the SMILES notation for 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione?
The canonical SMILES for 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione is Cc1cc(F)c2c(c1)C(=O)C(=O)N2CC(=O)c1cccs1.
What is the InChIKey of 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione?
The InChIKey is ORPYKBJASNBRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c1-8-5-9-13(10(16)6-8)17(15(20)14(9)19)7-11(18)12-3-2-4-21-12/h2-6H,7H2,1H3.
What are the key properties of 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione?
7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione has a molecular weight of 303.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione is sourced from PubChem (CID 62023101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).