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

C14H9FO2S — CID 141253898

IUPAC6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one
SMILESO=C1C(=Cc2ccco2)CSc2ccc(F)cc21
InChIInChI=1S/C14H9FO2S/c15-10-3-4-13-12(7-10)14(16)9(8-18-13)6-11-2-1-5-17-11/h1-7H,8H2
InChIKeyHPTUUFDIOSAWPL-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.79
Rot. Bonds1

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

6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one (PubChem CID 141253898) has the molecular formula C14H9FO2S and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one.

Molecular Properties

Compound Name6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one
PubChem CID141253898
Molecular FormulaC14H9FO2S
Molecular Weight260.29 g/mol
Exact Mass260.03
IUPAC Name6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one
SMILESO=C1C(=Cc2ccco2)CSc2ccc(F)cc21
InChIInChI=1S/C14H9FO2S/c15-10-3-4-13-12(7-10)14(16)9(8-18-13)6-11-2-1-5-17-11/h1-7H,8H2
InChIKeyHPTUUFDIOSAWPL-UHFFFAOYSA-N
XLogP3.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.79
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-(furan-2-ylmethylidene)thiochromen-4-one?
The IUPAC name of 6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one (CID 141253898) is 6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one.
What is the SMILES notation for 6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one?
The canonical SMILES for 6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one is O=C1C(=Cc2ccco2)CSc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one?
The InChIKey is HPTUUFDIOSAWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2S/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-(furan-2-ylmethylidene)thiochromen-4-one?
6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one has a molecular weight of 260.29 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(furan-2-ylmethylidene)thiochromen-4-one is sourced from PubChem (CID 141253898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).