2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol

C10H11FO3S — CID 117199715

IUPAC2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESO=S1(=O)CC(CCO)c2c(F)cccc21
InChIInChI=1S/C10H11FO3S/c11-8-2-1-3-9-10(8)7(4-5-12)6-15(9,13)14/h1-3,7,12H,4-6H2
InChIKeyKMYMHKBLSKRHIP-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.08
Rot. Bonds2

About 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol

2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol (PubChem CID 117199715) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
PubChem CID117199715
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESO=S1(=O)CC(CCO)c2c(F)cccc21
InChIInChI=1S/C10H11FO3S/c11-8-2-1-3-9-10(8)7(4-5-12)6-15(9,13)14/h1-3,7,12H,4-6H2
InChIKeyKMYMHKBLSKRHIP-UHFFFAOYSA-N
XLogP1.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol (CID 117199715) is 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol is O=S1(=O)CC(CCO)c2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The InChIKey is KMYMHKBLSKRHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c11-8-2-1-3-9-10(8)7(4-5-12)6-15(9,13)14/h1-3,7,12H,4-6H2.
What are the key properties of 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol?
2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol has a molecular weight of 230.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 117199715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).