5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione

C11H17F3N2O3 — CID 75453537

IUPAC5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione
SMILESCC(C)C1(C)NC(=O)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O3/c1-7(2)10(3)8(17)16(9(18)15-10)4-5-19-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)
InChIKeyPCWCARPIHOHPOP-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.53
Rot. Bonds5

About 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione

5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 75453537) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione
PubChem CID75453537
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione
SMILESCC(C)C1(C)NC(=O)N(CCOCC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O3/c1-7(2)10(3)8(17)16(9(18)15-10)4-5-19-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)
InChIKeyPCWCARPIHOHPOP-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione (CID 75453537) is 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione is CC(C)C1(C)NC(=O)N(CCOCC(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is PCWCARPIHOHPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7(2)10(3)8(17)16(9(18)15-10)4-5-19-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione?
5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 282.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75453537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).