5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

C10H17F3N2O2 — CID 83263391

IUPAC5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCC1(C)NCN(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C10H17F3N2O2/c1-3-9(2)8(16)15(7-14-9)4-5-17-6-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyGDRYBCUEAMVSSX-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.12
Rot. Bonds5

About 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83263391) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83263391
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCC1(C)NCN(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C10H17F3N2O2/c1-3-9(2)8(16)15(7-14-9)4-5-17-6-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyGDRYBCUEAMVSSX-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-5-methyl-3-propylimidazolidin-4-one
CID 83242935
5-ethyl-3-(2-fluoroethyl)-5-methylimidazolidin-4-one
CID 130504764
5-ethyl-3-(3-methoxypropyl)-5-methylimidazolidin-4-one
CID 83244125
3-(2-cyclopentylethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256191
3-(2-cyclohexylethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256196
3,6-diethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64887766
5-ethyl-5-methyl-3-(4-methylpentyl)imidazolidin-4-one
CID 83255365
3,3,6,6-tetramethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901227
5-ethyl-5-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazolidin-4-one
CID 83259439
6-[2-(2-methoxyethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83256016
1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64873258
5-ethyl-5-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazolidin-4-one
CID 83249853

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83263391) is 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is CCC1(C)NCN(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is GDRYBCUEAMVSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-3-9(2)8(16)15(7-14-9)4-5-17-6-10(11,12)13/h14H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 254.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83263391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).