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

C7H8F3NO4 — CID 537572

IUPACmethyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)CN(C(C)=O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO4/c1-4(12)11(3-5(13)15-2)6(14)7(8,9)10/h3H2,1-2H3
InChIKeyVYNNNJBKUAJZMP-UHFFFAOYSA-N
MW227.14 g/mol
LogP0.10
Rot. Bonds2

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

methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 537572) has the molecular formula C7H8F3NO4 and a molecular weight of 227.14 g/mol. Its IUPAC name is methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID537572
Molecular FormulaC7H8F3NO4
Molecular Weight227.14 g/mol
Exact Mass227.04
IUPAC Namemethyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)CN(C(C)=O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO4/c1-4(12)11(3-5(13)15-2)6(14)7(8,9)10/h3H2,1-2H3
InChIKeyVYNNNJBKUAJZMP-UHFFFAOYSA-N
XLogP0.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate (CID 537572) is methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate is COC(=O)CN(C(C)=O)C(=O)C(F)(F)F.
What is the InChIKey of methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is VYNNNJBKUAJZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO4/c1-4(12)11(3-5(13)15-2)6(14)7(8,9)10/h3H2,1-2H3.
What are the key properties of methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate?
methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 227.14 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 537572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).