ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate

C7H11FO4S — CID 79357443

IUPACethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate
SMILESCCOC(=O)C(F)SCC(=O)OC
InChIInChI=1S/C7H11FO4S/c1-3-12-7(10)6(8)13-4-5(9)11-2/h6H,3-4H2,1-2H3
InChIKeySPCXUVAOMWYYJZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.75
Rot. Bonds5

About ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate

ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate (PubChem CID 79357443) has the molecular formula C7H11FO4S and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate
PubChem CID79357443
Molecular FormulaC7H11FO4S
Molecular Weight210.23 g/mol
Exact Mass210.04
IUPAC Nameethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate
SMILESCCOC(=O)C(F)SCC(=O)OC
InChIInChI=1S/C7H11FO4S/c1-3-12-7(10)6(8)13-4-5(9)11-2/h6H,3-4H2,1-2H3
InChIKeySPCXUVAOMWYYJZ-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate?
The IUPAC name of ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate (CID 79357443) is ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate is CCOC(=O)C(F)SCC(=O)OC.
What is the InChIKey of ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate?
The InChIKey is SPCXUVAOMWYYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO4S/c1-3-12-7(10)6(8)13-4-5(9)11-2/h6H,3-4H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate?
ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate has a molecular weight of 210.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-methoxy-2-oxoethyl)sulfanylacetate is sourced from PubChem (CID 79357443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).