ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate

C8H12F3NO3 — CID 61012400

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

About ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate

ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 61012400) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID61012400
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Nameethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-3-12(5-6(13)15-4-2)7(14)8(9,10)11/h3-5H2,1-2H3
InChIKeyUVXBRAHSJGAUHZ-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
N(2-Acetoxyethyl)-N-ethylacetamide
CID 27397
Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Glycine, N-(trifluoroacetyl)-, butyl ester
CID 522617
2-(Isopropyl(trifluoroacetyl)amino)ethyl trifluoroacetate
CID 91712837
Sarcosine, n-pentafluoropropionyl-, isobutyl ester
CID 91730512
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Sarcosine, n-heptafluorobutyryl-, propyl ester
CID 91737613
Sarcosine, n-heptafluorobutyryl-, ethyl ester
CID 91737617
Sarcosine, n-heptafluorobutyryl-, butyl ester
CID 91737646
2-(Diethylamino)ethyl 2,2,2-trifluoroacetate
CID 59204074
2-(2,2,2-Trifluoro-N-methylacetamido)ethyl 2,2,2-trifluoroacetate
CID 88327225

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate (CID 61012400) is ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate is CCOC(=O)CN(CC)C(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is UVXBRAHSJGAUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-3-12(5-6(13)15-4-2)7(14)8(9,10)11/h3-5H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate?
ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]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 ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 61012400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).