8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid

C14H7FO4 — CID 151070737

IUPAC8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)oc(=O)c1cc(F)ccc12
InChIInChI=1S/C14H7FO4/c15-8-2-4-9-10-3-1-7(13(16)17)5-12(10)19-14(18)11(9)6-8/h1-6H,(H,16,17)
InChIKeyMIBQIMYNELAVKL-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.78
Rot. Bonds1

About 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid

8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid (PubChem CID 151070737) has the molecular formula C14H7FO4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid
PubChem CID151070737
Molecular FormulaC14H7FO4
Molecular Weight258.20 g/mol
Exact Mass258.03
IUPAC Name8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)oc(=O)c1cc(F)ccc12
InChIInChI=1S/C14H7FO4/c15-8-2-4-9-10-3-1-7(13(16)17)5-12(10)19-14(18)11(9)6-8/h1-6H,(H,16,17)
InChIKeyMIBQIMYNELAVKL-UHFFFAOYSA-N
XLogP2.78
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
3-(2,2-difluoroacetyl)benzo[c]chromen-6-one
CID 122224266
2-methyl-4-oxochromene-7-carboxylic acid
CID 166609828
7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
CID 75478956
carbon dioxide;9-oxoxanthene-3-carboxylic acid
CID 158563906
1-oxo-3-phenylisochromene-6-carboxylic acid
CID 17015150
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
1-methyl-2,4-dioxo-3,1-benzoxazine-7-carboxylic acid
CID 130298853
8-acetyl-3-[(4-fluorophenyl)methoxy]-2-methoxybenzo[c]chromen-6-one
CID 11999750
8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one
CID 145414402
5,7-difluoro-1-oxoisochromene-3-carboxylic acid
CID 114517456
2-oxochromene-3,6-dicarboxylic acid
CID 22966

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid?
The IUPAC name of 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid (CID 151070737) is 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid?
The canonical SMILES for 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid is O=C(O)c1ccc2c(c1)oc(=O)c1cc(F)ccc12.
What is the InChIKey of 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid?
The InChIKey is MIBQIMYNELAVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FO4/c15-8-2-4-9-10-3-1-7(13(16)17)5-12(10)19-14(18)11(9)6-8/h1-6H,(H,16,17).
What are the key properties of 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid?
8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid has a molecular weight of 258.20 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid is sourced from PubChem (CID 151070737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).