1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol

C11H9F3O3S — CID 117121914

IUPAC1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
SMILESCC(O)C1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H9F3O3S/c1-6(15)9-5-18(16,17)10-4-7(11(12,13)14)2-3-8(9)10/h2-6,15H,1H3
InChIKeyKNOXORSLJQXSME-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.21
Rot. Bonds1

About 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol

1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol (PubChem CID 117121914) has the molecular formula C11H9F3O3S and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol.

Molecular Properties

Compound Name1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
PubChem CID117121914
Molecular FormulaC11H9F3O3S
Molecular Weight278.25 g/mol
Exact Mass278.02
IUPAC Name1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
SMILESCC(O)C1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H9F3O3S/c1-6(15)9-5-18(16,17)10-4-7(11(12,13)14)2-3-8(9)10/h2-6,15H,1H3
InChIKeyKNOXORSLJQXSME-UHFFFAOYSA-N
XLogP2.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol
CID 117121915
1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone
CID 117121928
1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-amine
CID 99973097
O-[[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]methyl]hydroxylamine
CID 117196106
3-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-1-amine
CID 117121926
2,2-dioxo-3-propan-2-yl-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-one
CID 22768183
1-amino-1-oxo-6-(trifluoromethyl)-1,2-benzothiazol-3-one
CID 155432053
3-(1-aminoethyl)-1,1-dioxo-1-benzothiophen-5-ol
CID 117120889
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
3-[1,1-dioxo-5-(trifluoromethyl)-1-benzothiophen-3-yl]propan-1-amine
CID 117120778
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
1-[1,1-dioxo-6-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]-N-methylethanamine
CID 117202676

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol?
The IUPAC name of 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol (CID 117121914) is 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol.
What is the SMILES notation for 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol?
The canonical SMILES for 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol is CC(O)C1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol?
The InChIKey is KNOXORSLJQXSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O3S/c1-6(15)9-5-18(16,17)10-4-7(11(12,13)14)2-3-8(9)10/h2-6,15H,1H3.
What are the key properties of 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol?
1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol has a molecular weight of 278.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol is sourced from PubChem (CID 117121914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).