6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one

C14H9FOS2 — CID 2741214

IUPAC6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one
SMILESO=C1C(=Cc2cccs2)CSc2ccc(F)cc21
InChIInChI=1S/C14H9FOS2/c15-10-3-4-13-12(7-10)14(16)9(8-18-13)6-11-2-1-5-17-11/h1-7H,8H2
InChIKeyJRHZEHUAEQGVIL-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.26
Rot. Bonds1

About 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one

6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one (PubChem CID 2741214) has the molecular formula C14H9FOS2 and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one.

Molecular Properties

Compound Name6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one
PubChem CID2741214
Molecular FormulaC14H9FOS2
Molecular Weight276.36 g/mol
Exact Mass276.01
IUPAC Name6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one
SMILESO=C1C(=Cc2cccs2)CSc2ccc(F)cc21
InChIInChI=1S/C14H9FOS2/c15-10-3-4-13-12(7-10)14(16)9(8-18-13)6-11-2-1-5-17-11/h1-7H,8H2
InChIKeyJRHZEHUAEQGVIL-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one?
The IUPAC name of 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one (CID 2741214) is 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one.
What is the SMILES notation for 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one?
The canonical SMILES for 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one is O=C1C(=Cc2cccs2)CSc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one?
The InChIKey is JRHZEHUAEQGVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FOS2/c15-10-3-4-13-12(7-10)14(16)9(8-18-13)6-11-2-1-5-17-11/h1-7H,8H2.
What are the key properties of 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one?
6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one has a molecular weight of 276.36 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one is sourced from PubChem (CID 2741214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).