ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate

C7H11F3N2O3 — CID 43384954

IUPACethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-2-15-5(13)3-11-6(14)12-4-7(8,9)10/h2-4H2,1H3,(H2,11,12,14)
InChIKeyYOVNDMKZZGEUGF-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.41
Rot. Bonds4

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

ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate (PubChem CID 43384954) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
PubChem CID43384954
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Nameethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-2-15-5(13)3-11-6(14)12-4-7(8,9)10/h2-4H2,1H3,(H2,11,12,14)
InChIKeyYOVNDMKZZGEUGF-UHFFFAOYSA-N
XLogP0.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
CID 113278352
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
CID 65043048
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
CID 64597443
ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
CID 102676292
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
ethyl 2-(2-ethoxypropylcarbamoylamino)acetate
CID 115664872
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate (CID 43384954) is ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCC(F)(F)F.
What is the InChIKey of ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate?
The InChIKey is YOVNDMKZZGEUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-2-15-5(13)3-11-6(14)12-4-7(8,9)10/h2-4H2,1H3,(H2,11,12,14).
What are the key properties of ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate?
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate has a molecular weight of 228.17 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate is sourced from PubChem (CID 43384954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).