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

C9H14F3NO3 — CID 88580260

IUPACtert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-8(2,3)16-6(14)5-13(4)7(15)9(10,11)12/h5H2,1-4H3
InChIKeyCGFPAMSVNGOWDH-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.35
Rot. Bonds2

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

tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 88580260) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID88580260
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Nametert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-8(2,3)16-6(14)5-13(4)7(15)9(10,11)12/h5H2,1-4H3
InChIKeyCGFPAMSVNGOWDH-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate (CID 88580260) is tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate is CN(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F.
What is the InChIKey of tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is CGFPAMSVNGOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-8(2,3)16-6(14)5-13(4)7(15)9(10,11)12/h5H2,1-4H3.
What are the key properties of tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 241.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 88580260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).