2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C7H11F3N2O — CID 83250601

IUPAC2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC1NC(C)N(CC(F)(F)F)C1=O
InChIInChI=1S/C7H11F3N2O/c1-4-6(13)12(5(2)11-4)3-7(8,9)10/h4-5,11H,3H2,1-2H3
InChIKeyDIKSBMVQASGAEG-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.71
Rot. Bonds1

About 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83250601) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83250601
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC1NC(C)N(CC(F)(F)F)C1=O
InChIInChI=1S/C7H11F3N2O/c1-4-6(13)12(5(2)11-4)3-7(8,9)10/h4-5,11H,3H2,1-2H3
InChIKeyDIKSBMVQASGAEG-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-2,5-dimethylimidazolidin-4-one
CID 83256720
5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 113225393
5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282378
3-[2-[di(propan-2-yl)amino]ethyl]-2,5-dimethylimidazolidin-4-one
CID 83236812
3-[(4-ethylcyclohexyl)methyl]-2,5-dimethylimidazolidin-4-one
CID 83251966
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255175
3-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83255750
2,5-dimethyl-3-(2-piperidin-1-ylpropyl)imidazolidin-4-one
CID 83248889
2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255693
2-methyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
CID 114102628
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248818

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83250601) is 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC1NC(C)N(CC(F)(F)F)C1=O.
What is the InChIKey of 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is DIKSBMVQASGAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-4-6(13)12(5(2)11-4)3-7(8,9)10/h4-5,11H,3H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 196.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83250601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).