4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one

C8H11F3N2O2 — CID 106953266

IUPAC4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one
SMILESCC1(C)N=C(COCC(F)(F)F)NC1=O
InChIInChI=1S/C8H11F3N2O2/c1-7(2)6(14)12-5(13-7)3-15-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14)
InChIKeyDXLBIBVVLXYYKQ-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.87
Rot. Bonds3

About 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one

4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one (PubChem CID 106953266) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one
PubChem CID106953266
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one
SMILESCC1(C)N=C(COCC(F)(F)F)NC1=O
InChIInChI=1S/C8H11F3N2O2/c1-7(2)6(14)12-5(13-7)3-15-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14)
InChIKeyDXLBIBVVLXYYKQ-UHFFFAOYSA-N
XLogP0.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one?
The IUPAC name of 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one (CID 106953266) is 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one is CC1(C)N=C(COCC(F)(F)F)NC1=O.
What is the InChIKey of 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one?
The InChIKey is DXLBIBVVLXYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-7(2)6(14)12-5(13-7)3-15-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one?
4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one has a molecular weight of 224.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazol-5-one is sourced from PubChem (CID 106953266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).