1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol

C11H11F3O3S — CID 55159311

IUPAC1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3O3S/c12-11(13,14)9-4-2-1-3-8(9)10(15)5-6-18(16,17)7-10/h1-4,15H,5-7H2
InChIKeyIHJOHOSCSOVMCP-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.71
Rot. Bonds1

About 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol

1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol (PubChem CID 55159311) has the molecular formula C11H11F3O3S and a molecular weight of 280.27 g/mol. Its IUPAC name is 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol
PubChem CID55159311
Molecular FormulaC11H11F3O3S
Molecular Weight280.27 g/mol
Exact Mass280.04
IUPAC Name1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3O3S/c12-11(13,14)9-4-2-1-3-8(9)10(15)5-6-18(16,17)7-10/h1-4,15H,5-7H2
InChIKeyIHJOHOSCSOVMCP-UHFFFAOYSA-N
XLogP1.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol?
The IUPAC name of 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol (CID 55159311) is 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol is O=S1(=O)CCC(O)(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol?
The InChIKey is IHJOHOSCSOVMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3S/c12-11(13,14)9-4-2-1-3-8(9)10(15)5-6-18(16,17)7-10/h1-4,15H,5-7H2.
What are the key properties of 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol?
1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol has a molecular weight of 280.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-[2-(trifluoromethyl)phenyl]thiolan-3-ol is sourced from PubChem (CID 55159311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).