ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate

C15H18F3NO3 — CID 134847792

IUPACethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)C(NC(=O)C(F)(F)F)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H18F3NO3/c1-5-22-13(20)12(19-14(21)15(16,17)18)11-9(3)6-8(2)7-10(11)4/h6-7,12H,5H2,1-4H3,(H,19,21)
InChIKeyOHFFXURFZYCGMC-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.89
Rot. Bonds4

About ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate

ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate (PubChem CID 134847792) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate
PubChem CID134847792
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Nameethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate
SMILESCCOC(=O)C(NC(=O)C(F)(F)F)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H18F3NO3/c1-5-22-13(20)12(19-14(21)15(16,17)18)11-9(3)6-8(2)7-10(11)4/h6-7,12H,5H2,1-4H3,(H,19,21)
InChIKeyOHFFXURFZYCGMC-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate (CID 134847792) is ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate is CCOC(=O)C(NC(=O)C(F)(F)F)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is OHFFXURFZYCGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-5-22-13(20)12(19-14(21)15(16,17)18)11-9(3)6-8(2)7-10(11)4/h6-7,12H,5H2,1-4H3,(H,19,21).
What are the key properties of ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate?
ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 317.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2,2-trifluoroacetyl)amino]-2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 134847792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).