6,7-difluoro-4-oxochromene-2-carboxylic acid

C10H4F2O4 — CID 11974463

IUPAC6,7-difluoro-4-oxochromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)c(F)cc2o1
InChIInChI=1S/C10H4F2O4/c11-5-1-4-7(13)3-9(10(14)15)16-8(4)2-6(5)12/h1-3H,(H,14,15)
InChIKeyCZQNDNXOCNXZLT-UHFFFAOYSA-N
MW226.13 g/mol
LogP1.77
Rot. Bonds1

About 6,7-difluoro-4-oxochromene-2-carboxylic acid

6,7-difluoro-4-oxochromene-2-carboxylic acid (PubChem CID 11974463) has the molecular formula C10H4F2O4 and a molecular weight of 226.13 g/mol. Its IUPAC name is 6,7-difluoro-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-4-oxochromene-2-carboxylic acid
PubChem CID11974463
Molecular FormulaC10H4F2O4
Molecular Weight226.13 g/mol
Exact Mass226.01
IUPAC Name6,7-difluoro-4-oxochromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)c(F)cc2o1
InChIInChI=1S/C10H4F2O4/c11-5-1-4-7(13)3-9(10(14)15)16-8(4)2-6(5)12/h1-3H,(H,14,15)
InChIKeyCZQNDNXOCNXZLT-UHFFFAOYSA-N
XLogP1.77
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6,7-difluoro-4-oxochromene-2-carboxylic acid (CID 11974463) is 6,7-difluoro-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6,7-difluoro-4-oxochromene-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(F)c(F)cc2o1.
What is the InChIKey of 6,7-difluoro-4-oxochromene-2-carboxylic acid?
The InChIKey is CZQNDNXOCNXZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2O4/c11-5-1-4-7(13)3-9(10(14)15)16-8(4)2-6(5)12/h1-3H,(H,14,15).
What are the key properties of 6,7-difluoro-4-oxochromene-2-carboxylic acid?
6,7-difluoro-4-oxochromene-2-carboxylic acid has a molecular weight of 226.13 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 11974463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).