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

C7H10F3NO3 — CID 13090849

IUPAC[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-5(12)14-3-6(13)11(2)4-7(8,9)10/h3-4H2,1-2H3
InChIKeyIPBPHATWDNWKNI-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.57
Rot. Bonds3

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

[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate (PubChem CID 13090849) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate
PubChem CID13090849
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-5(12)14-3-6(13)11(2)4-7(8,9)10/h3-4H2,1-2H3
InChIKeyIPBPHATWDNWKNI-UHFFFAOYSA-N
XLogP0.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl N,N-diethyloxamate
CID 138489
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
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
2-(N-Ethyl-2,2,2-trifluoroacetamido)ethyl 2,2,2-trifluoroacetate
CID 91721561
N-(2,2,2-trifluoroethyl)-N-ethyl-acetoxyacetamide
CID 13090850
[2-Oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate
CID 57219811
2,2-Difluoro-4-methylmorpholin-3-one
CID 57545662
6,6-Difluoro-4-methylmorpholin-3-one
CID 57545663

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate (CID 13090849) is [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate is CC(=O)OCC(=O)N(C)CC(F)(F)F.
What is the InChIKey of [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate?
The InChIKey is IPBPHATWDNWKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-5(12)14-3-6(13)11(2)4-7(8,9)10/h3-4H2,1-2H3.
What are the key properties of [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate?
[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate has a molecular weight of 213.15 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl] acetate is sourced from PubChem (CID 13090849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).