methyl 2-(trifluoromethylsulfonylamino)acetate

C4H6F3NO4S — CID 21282781

IUPACmethyl 2-(trifluoromethylsulfonylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO4S/c1-12-3(9)2-8-13(10,11)4(5,6)7/h8H,2H2,1H3
InChIKeyZAUVQXFGHAGOAM-UHFFFAOYSA-N
MW221.16 g/mol
LogP-0.40
Rot. Bonds3

About methyl 2-(trifluoromethylsulfonylamino)acetate

methyl 2-(trifluoromethylsulfonylamino)acetate (PubChem CID 21282781) has the molecular formula C4H6F3NO4S and a molecular weight of 221.16 g/mol. Its IUPAC name is methyl 2-(trifluoromethylsulfonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(trifluoromethylsulfonylamino)acetate
PubChem CID21282781
Molecular FormulaC4H6F3NO4S
Molecular Weight221.16 g/mol
Exact Mass221.00
IUPAC Namemethyl 2-(trifluoromethylsulfonylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO4S/c1-12-3(9)2-8-13(10,11)4(5,6)7/h8H,2H2,1H3
InChIKeyZAUVQXFGHAGOAM-UHFFFAOYSA-N
XLogP-0.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(trifluoromethylsulfonylamino)acetate?
The IUPAC name of methyl 2-(trifluoromethylsulfonylamino)acetate (CID 21282781) is methyl 2-(trifluoromethylsulfonylamino)acetate.
What is the SMILES notation for methyl 2-(trifluoromethylsulfonylamino)acetate?
The canonical SMILES for methyl 2-(trifluoromethylsulfonylamino)acetate is COC(=O)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of methyl 2-(trifluoromethylsulfonylamino)acetate?
The InChIKey is ZAUVQXFGHAGOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO4S/c1-12-3(9)2-8-13(10,11)4(5,6)7/h8H,2H2,1H3.
What are the key properties of methyl 2-(trifluoromethylsulfonylamino)acetate?
methyl 2-(trifluoromethylsulfonylamino)acetate has a molecular weight of 221.16 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trifluoromethylsulfonylamino)acetate is sourced from PubChem (CID 21282781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).