2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide

C13H14F3NO3 — CID 10684824

IUPAC2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide
SMILESCC(C)(NC(=O)COc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-12(2,11(19)13(14,15)16)17-10(18)8-20-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyXALLHLWCXODXMP-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.09
Rot. Bonds5

About 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide

2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide (PubChem CID 10684824) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide
PubChem CID10684824
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide
SMILESCC(C)(NC(=O)COc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-12(2,11(19)13(14,15)16)17-10(18)8-20-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyXALLHLWCXODXMP-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65261292
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide
CID 58879695
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N'-(2-phenoxyacetyl)propanehydrazide
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2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(2-methyl-1-phenylpropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758798
chloromethane;2-phenoxyacetic acid
CID 157255542
2-(4-acetylphenoxy)-N-(1,1-diphenylethyl)acetamide
CID 56522786
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide (CID 10684824) is 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide is CC(C)(NC(=O)COc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide?
The InChIKey is XALLHLWCXODXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-12(2,11(19)13(14,15)16)17-10(18)8-20-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide?
2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide has a molecular weight of 289.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 10684824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).