2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol

C10H9FO3S — CID 117120817

IUPAC2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol
SMILESO=S1(=O)C=C(CCO)c2cc(F)ccc21
InChIInChI=1S/C10H9FO3S/c11-8-1-2-10-9(5-8)7(3-4-12)6-15(10,13)14/h1-2,5-6,12H,3-4H2
InChIKeyKZYXRDBXUHVMLU-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.34
Rot. Bonds2

About 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol

2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol (PubChem CID 117120817) has the molecular formula C10H9FO3S and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol
PubChem CID117120817
Molecular FormulaC10H9FO3S
Molecular Weight228.24 g/mol
Exact Mass228.03
IUPAC Name2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol
SMILESO=S1(=O)C=C(CCO)c2cc(F)ccc21
InChIInChI=1S/C10H9FO3S/c11-8-1-2-10-9(5-8)7(3-4-12)6-15(10,13)14/h1-2,5-6,12H,3-4H2
InChIKeyKZYXRDBXUHVMLU-UHFFFAOYSA-N
XLogP1.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol (CID 117120817) is 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol is O=S1(=O)C=C(CCO)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol?
The InChIKey is KZYXRDBXUHVMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3S/c11-8-1-2-10-9(5-8)7(3-4-12)6-15(10,13)14/h1-2,5-6,12H,3-4H2.
What are the key properties of 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol?
2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol has a molecular weight of 228.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 117120817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).