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

C12H21F3N2O2 — CID 83262928

IUPAC2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCCC1NC(CC)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O2/c1-3-5-9-11(18)17(10(4-2)16-9)6-7-19-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyWUCAXLSPTSNGGE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.90
Rot. Bonds7

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

2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83262928) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83262928
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESCCCC1NC(CC)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O2/c1-3-5-9-11(18)17(10(4-2)16-9)6-7-19-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyWUCAXLSPTSNGGE-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83262928) is 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is CCCC1NC(CC)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is WUCAXLSPTSNGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-5-9-11(18)17(10(4-2)16-9)6-7-19-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 282.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83262928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).