6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide

C14H8FNO3S — CID 178068635

IUPAC6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide
SMILESNC(=O)c1cc(F)cc2cc(-c3cccs3)c(=O)oc12
InChIInChI=1S/C14H8FNO3S/c15-8-4-7-5-9(11-2-1-3-20-11)14(18)19-12(7)10(6-8)13(16)17/h1-6H,(H2,16,17)
InChIKeyKWHWWEHDWABAFS-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.76
Rot. Bonds2

About 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide

6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide (PubChem CID 178068635) has the molecular formula C14H8FNO3S and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide
PubChem CID178068635
Molecular FormulaC14H8FNO3S
Molecular Weight289.29 g/mol
Exact Mass289.02
IUPAC Name6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide
SMILESNC(=O)c1cc(F)cc2cc(-c3cccs3)c(=O)oc12
InChIInChI=1S/C14H8FNO3S/c15-8-4-7-5-9(11-2-1-3-20-11)14(18)19-12(7)10(6-8)13(16)17/h1-6H,(H2,16,17)
InChIKeyKWHWWEHDWABAFS-UHFFFAOYSA-N
XLogP2.76
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide?
The IUPAC name of 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide (CID 178068635) is 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide.
What is the SMILES notation for 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide?
The canonical SMILES for 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide is NC(=O)c1cc(F)cc2cc(-c3cccs3)c(=O)oc12.
What is the InChIKey of 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide?
The InChIKey is KWHWWEHDWABAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3S/c15-8-4-7-5-9(11-2-1-3-20-11)14(18)19-12(7)10(6-8)13(16)17/h1-6H,(H2,16,17).
What are the key properties of 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide?
6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide is sourced from PubChem (CID 178068635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).