4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one

C8H11F3N2O2 — CID 106952749

IUPAC4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(COCC(F)(F)F)NC1=O
InChIInChI=1S/C8H11F3N2O2/c1-2-5-7(14)13-6(12-5)3-15-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyZIEQQJSVIHMNBL-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.87
Rot. Bonds4

About 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one

4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952749) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
PubChem CID106952749
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(COCC(F)(F)F)NC1=O
InChIInChI=1S/C8H11F3N2O2/c1-2-5-7(14)13-6(12-5)3-15-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyZIEQQJSVIHMNBL-UHFFFAOYSA-N
XLogP0.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one (CID 106952749) is 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one is CCC1N=C(COCC(F)(F)F)NC1=O.
What is the InChIKey of 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is ZIEQQJSVIHMNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-2-5-7(14)13-6(12-5)3-15-4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 224.18 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).