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

C7H10F3NO3 — CID 54595828

IUPACethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-14-5(12)4-11(2)6(13)7(8,9)10/h3-4H2,1-2H3
InChIKeyNZCQOTQXWQMKCW-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.57
Rot. Bonds3

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

ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 54595828) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID54595828
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Nameethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-14-5(12)4-11(2)6(13)7(8,9)10/h3-4H2,1-2H3
InChIKeyNZCQOTQXWQMKCW-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 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
N-acetyl sarcosine O-methyl ester
CID 21718769
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
Acetamide, N-methyl-N-(2-methoxyethyl)trifluoro-
CID 62728049
2-(2,2,2-Trifluoro-N-methylacetamido)ethyl 2,2,2-trifluoroacetate
CID 88327225
Ethyl 2-[acetyl(fluoro)amino]acetate
CID 15813343
Glycine, N-acetyl-N-(trifluoroacetyl)-, methyl ester
CID 537572
Glycine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 587635

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate (CID 54595828) is ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate is CCOC(=O)CN(C)C(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is NZCQOTQXWQMKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-3-14-5(12)4-11(2)6(13)7(8,9)10/h3-4H2,1-2H3.
What are the key properties of ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]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 ethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 54595828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).