5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione

C14H20F3N3O2 — CID 56822829

IUPAC5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione
SMILESCCN(CN1C(=O)NC(C2CC2)(C2CC2)C1=O)CC(F)(F)F
InChIInChI=1S/C14H20F3N3O2/c1-2-19(7-13(15,16)17)8-20-11(21)14(9-3-4-9,10-5-6-10)18-12(20)22/h9-10H,2-8H2,1H3,(H,18,22)
InChIKeyWKXIXPZFWZQFPW-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.94
Rot. Bonds6

About 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione

5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione (PubChem CID 56822829) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione
PubChem CID56822829
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione
SMILESCCN(CN1C(=O)NC(C2CC2)(C2CC2)C1=O)CC(F)(F)F
InChIInChI=1S/C14H20F3N3O2/c1-2-19(7-13(15,16)17)8-20-11(21)14(9-3-4-9,10-5-6-10)18-12(20)22/h9-10H,2-8H2,1H3,(H,18,22)
InChIKeyWKXIXPZFWZQFPW-UHFFFAOYSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione (CID 56822829) is 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione is CCN(CN1C(=O)NC(C2CC2)(C2CC2)C1=O)CC(F)(F)F.
What is the InChIKey of 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione?
The InChIKey is WKXIXPZFWZQFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-2-19(7-13(15,16)17)8-20-11(21)14(9-3-4-9,10-5-6-10)18-12(20)22/h9-10H,2-8H2,1H3,(H,18,22).
What are the key properties of 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione?
5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione has a molecular weight of 319.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56822829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).