4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one

C9H13F3N2O — CID 123399248

IUPAC4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
SMILESCCc1c(C)n(C)c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-4-7-6(2)13(3)8(15)14(7)5-9(10,11)12/h4-5H2,1-3H3
InChIKeyLWSLELUWOVQAKY-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.62
Rot. Bonds2

About 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one

4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one (PubChem CID 123399248) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one.

Molecular Properties

Compound Name4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
PubChem CID123399248
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
SMILESCCc1c(C)n(C)c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-4-7-6(2)13(3)8(15)14(7)5-9(10,11)12/h4-5H2,1-3H3
InChIKeyLWSLELUWOVQAKY-UHFFFAOYSA-N
XLogP1.62
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The IUPAC name of 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one (CID 123399248) is 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one.
What is the SMILES notation for 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The canonical SMILES for 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one is CCc1c(C)n(C)c(=O)n1CC(F)(F)F.
What is the InChIKey of 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one?
The InChIKey is LWSLELUWOVQAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-4-7-6(2)13(3)8(15)14(7)5-9(10,11)12/h4-5H2,1-3H3.
What are the key properties of 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one?
4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one has a molecular weight of 222.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,5-dimethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one is sourced from PubChem (CID 123399248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).