ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate

C11H17F3N2O3 — CID 78977690

IUPACethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)NCC(F)(F)F)CC(=O)OCC
InChIInChI=1S/C11H17F3N2O3/c1-3-5-16(7-10(18)19-4-2)6-9(17)15-8-11(12,13)14/h3H,1,4-8H2,2H3,(H,15,17)
InChIKeyOTDGHUHDGNAAIT-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.72
Rot. Bonds8

About ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate

ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate (PubChem CID 78977690) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate
PubChem CID78977690
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Nameethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)NCC(F)(F)F)CC(=O)OCC
InChIInChI=1S/C11H17F3N2O3/c1-3-5-16(7-10(18)19-4-2)6-9(17)15-8-11(12,13)14/h3H,1,4-8H2,2H3,(H,15,17)
InChIKeyOTDGHUHDGNAAIT-UHFFFAOYSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate (CID 78977690) is ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)NCC(F)(F)F)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate?
The InChIKey is OTDGHUHDGNAAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-3-5-16(7-10(18)19-4-2)6-9(17)15-8-11(12,13)14/h3H,1,4-8H2,2H3,(H,15,17).
What are the key properties of ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate?
ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate has a molecular weight of 282.26 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 78977690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).