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

C14H6FNO2S — CID 178068724

IUPAC6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile
SMILESN#Cc1cc(F)cc2cc(-c3cccs3)c(=O)oc12
InChIInChI=1S/C14H6FNO2S/c15-10-4-8-6-11(12-2-1-3-19-12)14(17)18-13(8)9(5-10)7-16/h1-6H
InChIKeyAKLJENXFONLKMP-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.53
Rot. Bonds1

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

6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile (PubChem CID 178068724) has the molecular formula C14H6FNO2S and a molecular weight of 271.27 g/mol. Its IUPAC name is 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile
PubChem CID178068724
Molecular FormulaC14H6FNO2S
Molecular Weight271.27 g/mol
Exact Mass271.01
IUPAC Name6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile
SMILESN#Cc1cc(F)cc2cc(-c3cccs3)c(=O)oc12
InChIInChI=1S/C14H6FNO2S/c15-10-4-8-6-11(12-2-1-3-19-12)14(17)18-13(8)9(5-10)7-16/h1-6H
InChIKeyAKLJENXFONLKMP-UHFFFAOYSA-N
XLogP3.53
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
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-carbonitrile?
The IUPAC name of 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile (CID 178068724) is 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile.
What is the SMILES notation for 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile?
The canonical SMILES for 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile is N#Cc1cc(F)cc2cc(-c3cccs3)c(=O)oc12.
What is the InChIKey of 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile?
The InChIKey is AKLJENXFONLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6FNO2S/c15-10-4-8-6-11(12-2-1-3-19-12)14(17)18-13(8)9(5-10)7-16/h1-6H.
What are the key properties of 6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile?
6-fluoro-2-oxo-3-thiophen-2-ylchromene-8-carbonitrile has a molecular weight of 271.27 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 178068724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).