[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate

C8H12F3NO3 — CID 13090850

IUPAC[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate
SMILESCCN(CC(F)(F)F)C(=O)COC(C)=O
InChIInChI=1S/C8H12F3NO3/c1-3-12(5-8(9,10)11)7(14)4-15-6(2)13/h3-5H2,1-2H3
InChIKeyCKSPQILNAQZNMY-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.96
Rot. Bonds4

About [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate

[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate (PubChem CID 13090850) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate
PubChem CID13090850
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate
SMILESCCN(CC(F)(F)F)C(=O)COC(C)=O
InChIInChI=1S/C8H12F3NO3/c1-3-12(5-8(9,10)11)7(14)4-15-6(2)13/h3-5H2,1-2H3
InChIKeyCKSPQILNAQZNMY-UHFFFAOYSA-N
XLogP0.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl N,N-diethyloxamate
CID 138489
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
2-(Isopropyl(trifluoroacetyl)amino)ethyl trifluoroacetate
CID 91712837
2-(2,2,2-Trifluoro-N-methylacetamido)ethyl 2,2,2-trifluoroacetate
CID 88327225
N,N-diethyl-2-fluoro-2-heptafluoropropoxyacet-amide
CID 100977959
N,N-diethyl-2-fluoro-2-trifluoromethoxyacet-amide
CID 129769427
N,N-diethylacetoxyacetamide
CID 19735944
Glycine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 587635
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 44190410
ethyl 2-(2,2,2-trifluoro-N-methylacetamido)acetate
CID 54595828
Acetamide, N-ethyl-N-(2-ethoxyethyl)trifluoro-
CID 63719353
2-(N-Ethyl-2,2,2-trifluoroacetamido)ethyl 2,2,2-trifluoroacetate
CID 91721561

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate (CID 13090850) is [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate is CCN(CC(F)(F)F)C(=O)COC(C)=O.
What is the InChIKey of [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate?
The InChIKey is CKSPQILNAQZNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-3-12(5-8(9,10)11)7(14)4-15-6(2)13/h3-5H2,1-2H3.
What are the key properties of [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate?
[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate has a molecular weight of 227.18 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate is sourced from PubChem (CID 13090850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).