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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Related Compounds

1-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-one
CID 117199722
2-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 117200240
1-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropan-2-ol
CID 117199739
2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 117199780
2-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 117198453
4-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)butan-1-ol
CID 57254586
3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84625811
1-(4-bromo-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropan-2-ol
CID 117199741
O-[[1,1-dioxo-4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]methyl]hydroxylamine
CID 117199259
1-(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propan-2-one
CID 117200245
(5-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
CID 84625983
O-[(4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)methyl]hydroxylamine
CID 117200257

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).