4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid

C15H9FO5S — CID 510833

IUPAC4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid
SMILESO=C(O)C(=O)CC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C15H9FO5S/c16-8-1-2-12-9(4-8)14-7(6-21-12)3-13(22-14)10(17)5-11(18)15(19)20/h1-4H,5-6H2,(H,19,20)
InChIKeyRGEDJPQWLKDMDY-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.67
Rot. Bonds4

About 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid

4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid (PubChem CID 510833) has the molecular formula C15H9FO5S and a molecular weight of 320.30 g/mol. Its IUPAC name is 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid.

Molecular Properties

Compound Name4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid
PubChem CID510833
Molecular FormulaC15H9FO5S
Molecular Weight320.30 g/mol
Exact Mass320.02
IUPAC Name4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid
SMILESO=C(O)C(=O)CC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C15H9FO5S/c16-8-1-2-12-9(4-8)14-7(6-21-12)3-13(22-14)10(17)5-11(18)15(19)20/h1-4H,5-6H2,(H,19,20)
InChIKeyRGEDJPQWLKDMDY-UHFFFAOYSA-N
XLogP2.67
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid?
The IUPAC name of 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid (CID 510833) is 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid.
What is the SMILES notation for 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid?
The canonical SMILES for 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid is O=C(O)C(=O)CC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2.
What is the InChIKey of 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid?
The InChIKey is RGEDJPQWLKDMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO5S/c16-8-1-2-12-9(4-8)14-7(6-21-12)3-13(22-14)10(17)5-11(18)15(19)20/h1-4H,5-6H2,(H,19,20).
What are the key properties of 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid?
4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid has a molecular weight of 320.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid is sourced from PubChem (CID 510833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).