2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide

C12H14F3NO3 — CID 81340723

IUPAC2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NOCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-8-3-9(2)5-10(4-8)18-6-11(17)16-19-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyJKXBBBKDBLQBOC-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.29
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide

2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81340723) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81340723
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NOCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-8-3-9(2)5-10(4-8)18-6-11(17)16-19-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyJKXBBBKDBLQBOC-UHFFFAOYSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340218
2-(3,5-dimethylphenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290853
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
3-(2,4-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81341084
4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002345
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426
2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741112
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethoxy)acetamide
CID 81341154
N-(2,6-difluorophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21368263

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81340723) is 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide is Cc1cc(C)cc(OCC(=O)NOCC(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JKXBBBKDBLQBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-8-3-9(2)5-10(4-8)18-6-11(17)16-19-7-12(13,14)15/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 277.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81340723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).