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

C7H9F3N2O2 — CID 106952231

IUPAC4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(COCC(F)(F)F)NC1=O
InChIInChI=1S/C7H9F3N2O2/c1-4-6(13)12-5(11-4)2-14-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13)
InChIKeyOBRDULHQNYQBCI-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.48
Rot. Bonds3

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

4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952231) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
PubChem CID106952231
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(COCC(F)(F)F)NC1=O
InChIInChI=1S/C7H9F3N2O2/c1-4-6(13)12-5(11-4)2-14-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13)
InChIKeyOBRDULHQNYQBCI-UHFFFAOYSA-N
XLogP0.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one (CID 106952231) is 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one is CC1N=C(COCC(F)(F)F)NC1=O.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is OBRDULHQNYQBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-4-6(13)12-5(11-4)2-14-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one?
4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 210.15 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).