[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate

C20H20F3NO4 — CID 7683795

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCC(=O)NCC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20F3NO4/c1-2-28-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(26)27-13-17(25)24-14-19(21,22)23/h3-12H,2,13-14H2,1H3,(H,24,25)
InChIKeyMXRFZSYJETVSEI-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.19
Rot. Bonds8

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate (PubChem CID 7683795) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
PubChem CID7683795
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCC(=O)NCC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20F3NO4/c1-2-28-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(26)27-13-17(25)24-14-19(21,22)23/h3-12H,2,13-14H2,1H3,(H,24,25)
InChIKeyMXRFZSYJETVSEI-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate (CID 7683795) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate is CCOC(C(=O)OCC(=O)NCC(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate?
The InChIKey is MXRFZSYJETVSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-2-28-20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(26)27-13-17(25)24-14-19(21,22)23/h3-12H,2,13-14H2,1H3,(H,24,25).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate has a molecular weight of 395.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate is sourced from PubChem (CID 7683795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).