1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol

C10H9FO3S — CID 117197504

IUPAC1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol
SMILESCC(O)C1=CS(=O)(=O)c2c(F)cccc21
InChIInChI=1S/C10H9FO3S/c1-6(12)8-5-15(13,14)10-7(8)3-2-4-9(10)11/h2-6,12H,1H3
InChIKeyWIALPCUDZIZZLD-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.33
Rot. Bonds1

About 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol

1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol (PubChem CID 117197504) has the molecular formula C10H9FO3S and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol
PubChem CID117197504
Molecular FormulaC10H9FO3S
Molecular Weight228.24 g/mol
Exact Mass228.03
IUPAC Name1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol
SMILESCC(O)C1=CS(=O)(=O)c2c(F)cccc21
InChIInChI=1S/C10H9FO3S/c1-6(12)8-5-15(13,14)10-7(8)3-2-4-9(10)11/h2-6,12H,1H3
InChIKeyWIALPCUDZIZZLD-UHFFFAOYSA-N
XLogP1.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,1-dioxo-1-benzothiophen-3-yl)ethanol
CID 117119383
3-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117197535
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(5-bromo-1,1-dioxo-1-benzothiophen-3-yl)ethanol
CID 117120815
2-amino-2-(7-fluoro-2-methyl-1,1-dioxo-1-benzothiophen-3-yl)acetic acid
CID 115073135
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117181295
3-(4-fluoro-1,1-dioxo-1-benzothiophen-3-yl)butanoic acid
CID 117119465
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
3-chloro-7-fluoro-1,2-benzothiazole 1,1-dioxide
CID 67043412
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
4,4,8-trifluoro-1,1-dioxo-2,3-dihydrothiochromen-3-amine
CID 83233628
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol (CID 117197504) is 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol is CC(O)C1=CS(=O)(=O)c2c(F)cccc21.
What is the InChIKey of 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol?
The InChIKey is WIALPCUDZIZZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3S/c1-6(12)8-5-15(13,14)10-7(8)3-2-4-9(10)11/h2-6,12H,1H3.
What are the key properties of 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol?
1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol has a molecular weight of 228.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1,1-dioxo-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 117197504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).