tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

C8H12F3NO3 — CID 11075136

IUPACtert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-7(2,3)15-5(13)4-12-6(14)8(9,10)11/h4H2,1-3H3,(H,12,14)
InChIKeyAVOURCLHIYDSCB-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.01
Rot. Bonds2

About tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 11075136) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID11075136
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Nametert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-7(2,3)15-5(13)4-12-6(14)8(9,10)11/h4H2,1-3H3,(H,12,14)
InChIKeyAVOURCLHIYDSCB-UHFFFAOYSA-N
XLogP1.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Tert-butyl 2-acetamidoacetate
CID 11715255
Tert-butyl 2-[(2,2-difluoroethyl)amino]acetate
CID 89906572
Isopropyl [(trifluoroacetyl)amino]acetate
CID 529794
tert-butyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 54355926
Glycine, N-(trifluoroacetyl)-, butyl ester
CID 522617
But-2-yn-1-yl 2-(2,2,2-trifluoroacetamido)acetate
CID 86715157
Glycine, N-(trifluoroacetyl)-, 1-methylbutyl ester
CID 539388
Glycine, N-pentafluoropropanoyl-, isopropyl ester
CID 540148
Glycine, N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 546365
Glycine, N-trifluoroacetyl-, pentyl ester
CID 91691836
Tert-butyl 2-(3,4,4-trifluorobut-3-enoylamino)acetate
CID 15239202

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 11075136) is tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is CC(C)(C)OC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is AVOURCLHIYDSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-7(2,3)15-5(13)4-12-6(14)8(9,10)11/h4H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 227.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 11075136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).