2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol

C12H11F3O3S — CID 117121915

IUPAC2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol
SMILESCC(C)(O)C1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H11F3O3S/c1-11(2,16)9-6-19(17,18)10-5-7(12(13,14)15)3-4-8(9)10/h3-6,16H,1-2H3
InChIKeyUIZWNHXMAVNUQJ-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.60
Rot. Bonds1

About 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol

2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol (PubChem CID 117121915) has the molecular formula C12H11F3O3S and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol
PubChem CID117121915
Molecular FormulaC12H11F3O3S
Molecular Weight292.28 g/mol
Exact Mass292.04
IUPAC Name2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol
SMILESCC(C)(O)C1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H11F3O3S/c1-11(2,16)9-6-19(17,18)10-5-7(12(13,14)15)3-4-8(9)10/h3-6,16H,1-2H3
InChIKeyUIZWNHXMAVNUQJ-UHFFFAOYSA-N
XLogP2.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanone
CID 117121928
1-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]ethanol
CID 117121914
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
1-amino-1-oxo-6-(trifluoromethyl)-1,2-benzothiazol-3-one
CID 155432053
1-[1,1-dioxo-5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]-2-methylpropan-2-ol
CID 117200579
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpropanoyl chloride
CID 117047666
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
(1R,3R)-3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol
CID 171237640
2,2-dioxo-3-propan-2-yl-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-one
CID 22768183
6-methyl-1,1-dioxo-1-benzothiophene-3-carboxylic acid
CID 117121949

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol?
The IUPAC name of 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol (CID 117121915) is 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol?
The canonical SMILES for 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol is CC(C)(O)C1=CS(=O)(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol?
The InChIKey is UIZWNHXMAVNUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3S/c1-11(2,16)9-6-19(17,18)10-5-7(12(13,14)15)3-4-8(9)10/h3-6,16H,1-2H3.
What are the key properties of 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol?
2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol has a molecular weight of 292.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-dioxo-6-(trifluoromethyl)-1-benzothiophen-3-yl]propan-2-ol is sourced from PubChem (CID 117121915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).