2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol

C6H11FO3S — CID 105439990

IUPAC2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CC(F)C(CCO)C1
InChIInChI=1S/C6H11FO3S/c7-6-4-11(9,10)3-5(6)1-2-8/h5-6,8H,1-4H2
InChIKeyVHQGWFNUXLGCSY-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.25
Rot. Bonds2

About 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol

2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol (PubChem CID 105439990) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol
PubChem CID105439990
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CC(F)C(CCO)C1
InChIInChI=1S/C6H11FO3S/c7-6-4-11(9,10)3-5(6)1-2-8/h5-6,8H,1-4H2
InChIKeyVHQGWFNUXLGCSY-UHFFFAOYSA-N
XLogP-0.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Hydroxymethyl)-1lambda6-thiolane-1,1-dione
CID 3694463
3-(2-Hydroxyethyl)-1lambda6-thiolane-1,1-dione
CID 20622991
4-(2-Hydroxyethyl)-1lambda6-thiane-1,1-dione
CID 69067958
(1,1-Dioxothiolan-2-yl)methanol
CID 84763218
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanol
CID 84666918
2-(4-Fluorothiolan-3-yl)ethanol
CID 105429477
2-Fluoro-2-(thiolan-3-yl)ethanol
CID 105429478
(4-Fluoro-1,1-dioxothiolan-3-yl)methanol
CID 105433703
(3-Fluoro-1,1-dioxothian-4-yl)methanol
CID 105439987
(4-Fluoro-1,1-dioxothian-3-yl)methanol
CID 105439989
2-(1,1-Dioxothiolan-3-yl)-2-fluoroethanol
CID 105439991
2-(1,1-Dioxothiolan-2-yl)-2-fluoroethanol
CID 105439992

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol?
The IUPAC name of 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol (CID 105439990) is 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol?
The canonical SMILES for 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol is O=S1(=O)CC(F)C(CCO)C1.
What is the InChIKey of 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol?
The InChIKey is VHQGWFNUXLGCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-6-4-11(9,10)3-5(6)1-2-8/h5-6,8H,1-4H2.
What are the key properties of 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol?
2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanol has a molecular weight of 182.22 g/mol, XLogP of -0.25, 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-dioxothiolan-3-yl)ethanol is sourced from PubChem (CID 105439990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).