ethyl 2-(2,2-difluoroethylsulfonylamino)acetate

C6H11F2NO4S — CID 171486346

IUPACethyl 2-(2,2-difluoroethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)CC(F)F
InChIInChI=1S/C6H11F2NO4S/c1-2-13-6(10)3-9-14(11,12)4-5(7)8/h5,9H,2-4H2,1H3
InChIKeyXGODXHYAISFTCV-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.27
Rot. Bonds6

About ethyl 2-(2,2-difluoroethylsulfonylamino)acetate

ethyl 2-(2,2-difluoroethylsulfonylamino)acetate (PubChem CID 171486346) has the molecular formula C6H11F2NO4S and a molecular weight of 231.22 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoroethylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoroethylsulfonylamino)acetate
PubChem CID171486346
Molecular FormulaC6H11F2NO4S
Molecular Weight231.22 g/mol
Exact Mass231.04
IUPAC Nameethyl 2-(2,2-difluoroethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)CC(F)F
InChIInChI=1S/C6H11F2NO4S/c1-2-13-6(10)3-9-14(11,12)4-5(7)8/h5,9H,2-4H2,1H3
InChIKeyXGODXHYAISFTCV-UHFFFAOYSA-N
XLogP-0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl N-(methylsulfonyl)glycinate
CID 3505144
N-(Ethoxycarbonyl)Methyl-Trifluoromethanesulfonamide
CID 19081739
Ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate
CID 23236627
2-(2-Ethoxyethanesulfonamido)acetic acid
CID 63245950
(Trifluoromethylsulfonylamino)acetic acid methyl ester
CID 21282781
Ethyl 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)acetate
CID 85964235
Ethyl 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfonylamino)acetate
CID 85964241
Ethyl 2-[[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylamino]acetate
CID 87160079
2-(Trifluoromethylsulfonylamino)ethyl acetate
CID 88539107
Ethyl 2-fluoro-2-(methylsulfamoyl)acetate
CID 118531128
2-(1,1,2,2,3,3,3-Heptafluoropropylsulfonylamino)ethyl acetate
CID 129294900
2-(1,1,2,2,2-Pentafluoroethylsulfonylamino)ethyl acetate
CID 129294904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoroethylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(2,2-difluoroethylsulfonylamino)acetate (CID 171486346) is ethyl 2-(2,2-difluoroethylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(2,2-difluoroethylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(2,2-difluoroethylsulfonylamino)acetate is CCOC(=O)CNS(=O)(=O)CC(F)F.
What is the InChIKey of ethyl 2-(2,2-difluoroethylsulfonylamino)acetate?
The InChIKey is XGODXHYAISFTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO4S/c1-2-13-6(10)3-9-14(11,12)4-5(7)8/h5,9H,2-4H2,1H3.
What are the key properties of ethyl 2-(2,2-difluoroethylsulfonylamino)acetate?
ethyl 2-(2,2-difluoroethylsulfonylamino)acetate has a molecular weight of 231.22 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoroethylsulfonylamino)acetate is sourced from PubChem (CID 171486346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).