6-fluoro-4-oxochromene-2-carboxylate

C10H4FO4- — CID 6951269

IUPAC6-fluoro-4-oxochromene-2-carboxylate
SMILESO=C([O-])c1cc(=O)c2cc(F)ccc2o1
InChIInChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)/p-1
InChIKeyJZJYDFADRMBXAW-UHFFFAOYSA-M
MW207.14 g/mol
LogP0.30
Rot. Bonds1

About 6-fluoro-4-oxochromene-2-carboxylate

6-fluoro-4-oxochromene-2-carboxylate (PubChem CID 6951269) has the molecular formula C10H4FO4- and a molecular weight of 207.14 g/mol. Its IUPAC name is 6-fluoro-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name6-fluoro-4-oxochromene-2-carboxylate
PubChem CID6951269
Molecular FormulaC10H4FO4-
Molecular Weight207.14 g/mol
Exact Mass207.01
IUPAC Name6-fluoro-4-oxochromene-2-carboxylate
SMILESO=C([O-])c1cc(=O)c2cc(F)ccc2o1
InChIInChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)/p-1
InChIKeyJZJYDFADRMBXAW-UHFFFAOYSA-M
XLogP0.30
TPSA70.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
6-(2-hydroxypropyl)-4-oxochromene-2-carboxylate
CID 90469973
6-fluoro-2-(hydroxymethyl)chromen-4-one
CID 14089208
2-[3-(3,3-difluorocyclobutyl)propanoyl]-6-fluorochromen-4-one
CID 161419791
6-fluoro-4-hydroxy-3-(2-methylpropanoyl)chromen-2-one
CID 153315855
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
CID 159966896
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 177477237
N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide
CID 139328028
calcium 4,6-dioxo-9H-pyrano[3,2-g]quinoline-2,8-dicarboxylate
CID 22368242
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone
CID 82372665

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxochromene-2-carboxylate?
The IUPAC name of 6-fluoro-4-oxochromene-2-carboxylate (CID 6951269) is 6-fluoro-4-oxochromene-2-carboxylate.
What is the SMILES notation for 6-fluoro-4-oxochromene-2-carboxylate?
The canonical SMILES for 6-fluoro-4-oxochromene-2-carboxylate is O=C([O-])c1cc(=O)c2cc(F)ccc2o1.
What is the InChIKey of 6-fluoro-4-oxochromene-2-carboxylate?
The InChIKey is JZJYDFADRMBXAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)/p-1.
What are the key properties of 6-fluoro-4-oxochromene-2-carboxylate?
6-fluoro-4-oxochromene-2-carboxylate has a molecular weight of 207.14 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxochromene-2-carboxylate is sourced from PubChem (CID 6951269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).