1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

C12H13F3O2 — CID 43799480

IUPAC1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1ccc(C(=O)COCC(F)(F)F)c(C)c1
InChIInChI=1S/C12H13F3O2/c1-8-3-4-10(9(2)5-8)11(16)6-17-7-12(13,14)15/h3-5H,6-7H2,1-2H3
InChIKeyOFEDFLHUBBMWEB-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.07
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799480) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799480
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1ccc(C(=O)COCC(F)(F)F)c(C)c1
InChIInChI=1S/C12H13F3O2/c1-8-3-4-10(9(2)5-8)11(16)6-17-7-12(13,14)15/h3-5H,6-7H2,1-2H3
InChIKeyOFEDFLHUBBMWEB-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3,3,3-trifluoropropoxy)ethanone
CID 82956283
2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 82006063
1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206753
2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 106203148
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799452
2-but-3-enoxy-1-(2,4-dimethylphenyl)ethanone
CID 62031383
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936552
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 103206613

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799480) is 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone is Cc1ccc(C(=O)COCC(F)(F)F)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is OFEDFLHUBBMWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-8-3-4-10(9(2)5-8)11(16)6-17-7-12(13,14)15/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 246.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).