ethyl 2-(difluoromethylsulfonylamino)acetate

C5H9F2NO4S — CID 60816614

IUPACethyl 2-(difluoromethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C5H9F2NO4S/c1-2-12-4(9)3-8-13(10,11)5(6)7/h5,8H,2-3H2,1H3
InChIKeyCUBKRDTYCNVQEU-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.31
Rot. Bonds5

About ethyl 2-(difluoromethylsulfonylamino)acetate

ethyl 2-(difluoromethylsulfonylamino)acetate (PubChem CID 60816614) has the molecular formula C5H9F2NO4S and a molecular weight of 217.19 g/mol. Its IUPAC name is ethyl 2-(difluoromethylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(difluoromethylsulfonylamino)acetate
PubChem CID60816614
Molecular FormulaC5H9F2NO4S
Molecular Weight217.19 g/mol
Exact Mass217.02
IUPAC Nameethyl 2-(difluoromethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)C(F)F
InChIInChI=1S/C5H9F2NO4S/c1-2-12-4(9)3-8-13(10,11)5(6)7/h5,8H,2-3H2,1H3
InChIKeyCUBKRDTYCNVQEU-UHFFFAOYSA-N
XLogP-0.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(propylsulfamoylamino)acetate
CID 59773974
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
ethyl 2-fluoro-2-(methylsulfamoyl)acetate
CID 118531128
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl propanoate;methanesulfonic acid
CID 159764839
ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
CID 118525431
CID 118525431
ethyl 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]acetate
CID 54921028
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
ethyl 2-[(2-propan-2-ylsulfonylacetyl)amino]acetate
CID 4670529
ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(difluoromethylsulfonylamino)acetate (CID 60816614) is ethyl 2-(difluoromethylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(difluoromethylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(difluoromethylsulfonylamino)acetate is CCOC(=O)CNS(=O)(=O)C(F)F.
What is the InChIKey of ethyl 2-(difluoromethylsulfonylamino)acetate?
The InChIKey is CUBKRDTYCNVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO4S/c1-2-12-4(9)3-8-13(10,11)5(6)7/h5,8H,2-3H2,1H3.
What are the key properties of ethyl 2-(difluoromethylsulfonylamino)acetate?
ethyl 2-(difluoromethylsulfonylamino)acetate has a molecular weight of 217.19 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethylsulfonylamino)acetate is sourced from PubChem (CID 60816614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).