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

C6H10F2O3S — CID 105452675

IUPAC2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CC(CCO)C(F)(F)C1
InChIInChI=1S/C6H10F2O3S/c7-6(8)4-12(10,11)3-5(6)1-2-9/h5,9H,1-4H2
InChIKeyCTAQEQHJPNDENJ-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.05
Rot. Bonds2

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

2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol (PubChem CID 105452675) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol
PubChem CID105452675
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CC(CCO)C(F)(F)C1
InChIInChI=1S/C6H10F2O3S/c7-6(8)4-12(10,11)3-5(6)1-2-9/h5,9H,1-4H2
InChIKeyCTAQEQHJPNDENJ-UHFFFAOYSA-N
XLogP0.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Hydroxyethyl)-1lambda6-thiolane-1,1-dione
CID 20622991
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanol
CID 84666918
1-(1,1-Dioxothian-4-yl)-2,2,2-trifluoroethanol
CID 84695375
(4-Fluoro-1,1-dioxothiolan-3-yl)methanol
CID 105433703
2-(4,4-Difluorothiolan-3-yl)ethanol
CID 105433783
2,2-Difluoro-2-(thiolan-3-yl)ethan-1-ol
CID 105433784
(3-Fluoro-1,1-dioxothian-4-yl)methanol
CID 105439987
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanol
CID 105439990
2-(1,1-Dioxothiolan-3-yl)-2-fluoroethanol
CID 105439991
(4,4-Difluoro-1,1-dioxothiolan-3-yl)methanol
CID 105441984
2-(3-Fluoro-1,1-dioxothian-4-yl)ethanol
CID 105449904
3-(1,1-Dioxothiolan-3-yl)-2-fluoropropan-1-ol
CID 105449905

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol?
The IUPAC name of 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol (CID 105452675) is 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol.
What is the SMILES notation for 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol?
The canonical SMILES for 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol is O=S1(=O)CC(CCO)C(F)(F)C1.
What is the InChIKey of 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol?
The InChIKey is CTAQEQHJPNDENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c7-6(8)4-12(10,11)3-5(6)1-2-9/h5,9H,1-4H2.
What are the key properties of 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol?
2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol has a molecular weight of 200.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanol is sourced from PubChem (CID 105452675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).