ethyl 2-fluoro-2-(methylsulfamoyl)acetate

C5H10FNO4S — CID 118531128

IUPACethyl 2-fluoro-2-(methylsulfamoyl)acetate
SMILESCCOC(=O)C(F)S(=O)(=O)NC
InChIInChI=1S/C5H10FNO4S/c1-3-11-5(8)4(6)12(9,10)7-2/h4,7H,3H2,1-2H3
InChIKeyNDCNGQRQJIEVEE-UHFFFAOYSA-N
MW199.20 g/mol
LogP-0.61
Rot. Bonds4

About ethyl 2-fluoro-2-(methylsulfamoyl)acetate

ethyl 2-fluoro-2-(methylsulfamoyl)acetate (PubChem CID 118531128) has the molecular formula C5H10FNO4S and a molecular weight of 199.20 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(methylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(methylsulfamoyl)acetate
PubChem CID118531128
Molecular FormulaC5H10FNO4S
Molecular Weight199.20 g/mol
Exact Mass199.03
IUPAC Nameethyl 2-fluoro-2-(methylsulfamoyl)acetate
SMILESCCOC(=O)C(F)S(=O)(=O)NC
InChIInChI=1S/C5H10FNO4S/c1-3-11-5(8)4(6)12(9,10)7-2/h4,7H,3H2,1-2H3
InChIKeyNDCNGQRQJIEVEE-UHFFFAOYSA-N
XLogP-0.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142778166
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CID 138987649
ethyl (2S)-2-methylsulfonylpropanoate
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ethyl 2-(fluoroamino)propanoate
CID 89108988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(methylsulfamoyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(methylsulfamoyl)acetate (CID 118531128) is ethyl 2-fluoro-2-(methylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(methylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(methylsulfamoyl)acetate is CCOC(=O)C(F)S(=O)(=O)NC.
What is the InChIKey of ethyl 2-fluoro-2-(methylsulfamoyl)acetate?
The InChIKey is NDCNGQRQJIEVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO4S/c1-3-11-5(8)4(6)12(9,10)7-2/h4,7H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(methylsulfamoyl)acetate?
ethyl 2-fluoro-2-(methylsulfamoyl)acetate has a molecular weight of 199.20 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(methylsulfamoyl)acetate is sourced from PubChem (CID 118531128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).