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

C6H8F3NO3 — CID 55028746

IUPACmethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(3-4(11)13-2)5(12)6(7,8)9/h3H2,1-2H3
InChIKeyYQGROFLNTVVSDD-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.18
Rot. Bonds2

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

methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 55028746) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID55028746
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Namemethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-10(3-4(11)13-2)5(12)6(7,8)9/h3H2,1-2H3
InChIKeyYQGROFLNTVVSDD-UHFFFAOYSA-N
XLogP0.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate (CID 55028746) is methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate is COC(=O)CN(C)C(=O)C(F)(F)F.
What is the InChIKey of methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is YQGROFLNTVVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-10(3-4(11)13-2)5(12)6(7,8)9/h3H2,1-2H3.
What are the key properties of methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 199.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 55028746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).