2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide

C13H16F3NO — CID 115190292

IUPAC2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
SMILESCc1cc(C)c(CN(C)C(=O)C(F)(F)F)c(C)c1
InChIInChI=1S/C13H16F3NO/c1-8-5-9(2)11(10(3)6-8)7-17(4)12(18)13(14,15)16/h5-6H,7H2,1-4H3
InChIKeyJRYUQJQBTWZVLH-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.13
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide (PubChem CID 115190292) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
PubChem CID115190292
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
SMILESCc1cc(C)c(CN(C)C(=O)C(F)(F)F)c(C)c1
InChIInChI=1S/C13H16F3NO/c1-8-5-9(2)11(10(3)6-8)7-17(4)12(18)13(14,15)16/h5-6H,7H2,1-4H3
InChIKeyJRYUQJQBTWZVLH-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]propanehydrazide
CID 168853336
2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
CID 115136607
N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
CID 115169248
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
CID 90893510
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide
CID 115191999
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide (CID 115190292) is 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide is Cc1cc(C)c(CN(C)C(=O)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
The InChIKey is JRYUQJQBTWZVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-8-5-9(2)11(10(3)6-8)7-17(4)12(18)13(14,15)16/h5-6H,7H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide has a molecular weight of 259.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide is sourced from PubChem (CID 115190292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).