2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one

C9H8FNO3S — CID 22694304

IUPAC2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1c1ccc(F)cc1
InChIInChI=1S/C9H8FNO3S/c10-7-1-3-8(4-2-7)11-9(12)5-6-15(11,13)14/h1-4H,5-6H2
InChIKeyHOBQKPKZJLYRMW-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.89
Rot. Bonds1

About 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one

2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 22694304) has the molecular formula C9H8FNO3S and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID22694304
Molecular FormulaC9H8FNO3S
Molecular Weight229.23 g/mol
Exact Mass229.02
IUPAC Name2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1c1ccc(F)cc1
InChIInChI=1S/C9H8FNO3S/c10-7-1-3-8(4-2-7)11-9(12)5-6-15(11,13)14/h1-4H,5-6H2
InChIKeyHOBQKPKZJLYRMW-UHFFFAOYSA-N
XLogP0.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one (CID 22694304) is 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one is O=C1CCS(=O)(=O)N1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is HOBQKPKZJLYRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3S/c10-7-1-3-8(4-2-7)11-9(12)5-6-15(11,13)14/h1-4H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 229.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 22694304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).