ethyl 2-(trifluoromethylsulfonylamino)acetate

C5H8F3NO4S — CID 19081739

IUPACethyl 2-(trifluoromethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-2-13-4(10)3-9-14(11,12)5(6,7)8/h9H,2-3H2,1H3
InChIKeyKJHZGOZHYMHJMQ-UHFFFAOYSA-N
MW235.18 g/mol
LogP-0.01
Rot. Bonds4

About ethyl 2-(trifluoromethylsulfonylamino)acetate

ethyl 2-(trifluoromethylsulfonylamino)acetate (PubChem CID 19081739) has the molecular formula C5H8F3NO4S and a molecular weight of 235.18 g/mol. Its IUPAC name is ethyl 2-(trifluoromethylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethylsulfonylamino)acetate
PubChem CID19081739
Molecular FormulaC5H8F3NO4S
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Nameethyl 2-(trifluoromethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-2-13-4(10)3-9-14(11,12)5(6,7)8/h9H,2-3H2,1H3
InChIKeyKJHZGOZHYMHJMQ-UHFFFAOYSA-N
XLogP-0.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl N-(methylsulfonyl)glycinate
CID 3505144
Ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)acetate
CID 23236627
[(2S)-2-(trifluoromethylsulfonylamino)butyl] acetate
CID 176436283
Ethyl 2-(trifluoromethylsulfanylamino)acetate
CID 21730935
(Trifluoromethylsulfonylamino)acetic acid methyl ester
CID 21282781
(2-Ethoxy-2-oxoethyl)-(trifluoromethylsulfonyl)azanide
CID 58427696
Ethyl 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)acetate
CID 85964235
2-(Trifluoromethylsulfonylamino)ethyl acetate
CID 88539107
2-(Trifluoromethylsulfonylamino)propyl propanoate
CID 90142801
2-(Trifluoromethylsulfonylamino)propyl 2-fluoropropanoate
CID 90142802
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-(trifluoromethylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(trifluoromethylsulfonylamino)acetate (CID 19081739) is ethyl 2-(trifluoromethylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(trifluoromethylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(trifluoromethylsulfonylamino)acetate is CCOC(=O)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-(trifluoromethylsulfonylamino)acetate?
The InChIKey is KJHZGOZHYMHJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO4S/c1-2-13-4(10)3-9-14(11,12)5(6,7)8/h9H,2-3H2,1H3.
What are the key properties of ethyl 2-(trifluoromethylsulfonylamino)acetate?
ethyl 2-(trifluoromethylsulfonylamino)acetate has a molecular weight of 235.18 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethylsulfonylamino)acetate is sourced from PubChem (CID 19081739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).