2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C13H14F3NO3 — CID 60701199

IUPAC2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)c1ccc(C)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-8-3-4-10(9(2)18)11(5-8)20-6-12(19)17-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyXMOVIONVABVJPU-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.25
Rot. Bonds5

About 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60701199) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60701199
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)c1ccc(C)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-8-3-4-10(9(2)18)11(5-8)20-6-12(19)17-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,19)
InChIKeyXMOVIONVABVJPU-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63650448
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78947410
5-methyl-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]benzenesulfonyl chloride
CID 82911879
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60701152
2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55159605
2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107655696
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368937

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 60701199) is 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)c1ccc(C)cc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XMOVIONVABVJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-8-3-4-10(9(2)18)11(5-8)20-6-12(19)17-7-13(14,15)16/h3-5H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 289.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60701199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).