2-(4-fluoro-1,1-dioxothian-4-yl)ethanol

C7H13FO3S — CID 84666918

IUPAC2-(4-fluoro-1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(F)(CCO)CC1
InChIInChI=1S/C7H13FO3S/c8-7(1-4-9)2-5-12(10,11)6-3-7/h9H,1-6H2
InChIKeyYDSLWGFRFFNTKN-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.29
Rot. Bonds2

About 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol

2-(4-fluoro-1,1-dioxothian-4-yl)ethanol (PubChem CID 84666918) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-1,1-dioxothian-4-yl)ethanol
PubChem CID84666918
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name2-(4-fluoro-1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(F)(CCO)CC1
InChIInChI=1S/C7H13FO3S/c8-7(1-4-9)2-5-12(10,11)6-3-7/h9H,1-6H2
InChIKeyYDSLWGFRFFNTKN-UHFFFAOYSA-N
XLogP0.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol 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

4-(Hydroxymethyl)-1lambda6-thiane-1,1-dione
CID 25179255
3-(Hydroxymethyl)-1lambda6-thiane-1,1-dione
CID 51000341
4-(2-Hydroxyethyl)-1lambda6-thiane-1,1-dione
CID 69067958
(3-Fluoro-1,1-dioxothian-3-yl)methanol
CID 84022518
2-(4-Fluorothian-4-yl)ethanol
CID 84651962
1-(1,1-Dioxothian-4-yl)-2,2,2-trifluoroethanol
CID 84695375
[4-(Fluoromethyl)-1,1-dioxothian-4-yl]methanol
CID 84773973
4-(Difluoromethyl)-4-(hydroxymethyl)-1lambda6-thiane-1,1-dione
CID 84783399
[4-(1,1-Difluoroethyl)-1,1-dioxothian-4-yl]methanol
CID 84792195
(3-Fluoro-1,1-dioxothian-4-yl)methanol
CID 105439987
(4-Fluoro-1,1-dioxothian-3-yl)methanol
CID 105439989
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105439990

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol?
The IUPAC name of 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol (CID 84666918) is 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol.
What is the SMILES notation for 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol?
The canonical SMILES for 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol is O=S1(=O)CCC(F)(CCO)CC1.
What is the InChIKey of 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol?
The InChIKey is YDSLWGFRFFNTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-7(1-4-9)2-5-12(10,11)6-3-7/h9H,1-6H2.
What are the key properties of 2-(4-fluoro-1,1-dioxothian-4-yl)ethanol?
2-(4-fluoro-1,1-dioxothian-4-yl)ethanol has a molecular weight of 196.24 g/mol, XLogP of 0.29, 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-dioxothian-4-yl)ethanol is sourced from PubChem (CID 84666918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).