5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane

C31H38F6N4O4 — CID 161410166

IUPAC5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane
SMILESCC1(C)NC(=O)N(c2ccc(CC(F)(F)F)cc2)C1=O.CCC.CCN1C(=O)N(c2ccc(CC(F)(F)F)cc2)C(=O)C1(C)C
InChIInChI=1S/C15H17F3N2O2.C13H13F3N2O2.C3H8/c1-4-19-13(22)20(12(21)14(19,2)3)11-7-5-10(6-8-11)9-15(16,17)18;1-12(2)10(19)18(11(20)17-12)9-5-3-8(4-6-9)7-13(14,15)16;1-3-2/h5-8H,4,9H2,1-3H3;3-6H,7H2,1-2H3,(H,17,20);3H2,1-2H3
InChIKeyVVIYKAPSLNHNGV-UHFFFAOYSA-N
MW644.66 g/mol
LogP7.40
Rot. Bonds5

About 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane

5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane (PubChem CID 161410166) has the molecular formula C31H38F6N4O4 and a molecular weight of 644.66 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane
PubChem CID161410166
Molecular FormulaC31H38F6N4O4
Molecular Weight644.66 g/mol
Exact Mass644.28
IUPAC Name5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane
SMILESCC1(C)NC(=O)N(c2ccc(CC(F)(F)F)cc2)C1=O.CCC.CCN1C(=O)N(c2ccc(CC(F)(F)F)cc2)C(=O)C1(C)C
InChIInChI=1S/C15H17F3N2O2.C13H13F3N2O2.C3H8/c1-4-19-13(22)20(12(21)14(19,2)3)11-7-5-10(6-8-11)9-15(16,17)18;1-12(2)10(19)18(11(20)17-12)9-5-3-8(4-6-9)7-13(14,15)16;1-3-2/h5-8H,4,9H2,1-3H3;3-6H,7H2,1-2H3,(H,17,20);3H2,1-2H3
InChIKeyVVIYKAPSLNHNGV-UHFFFAOYSA-N
XLogP7.40
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.66
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane?
The IUPAC name of 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane (CID 161410166) is 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane.
What is the SMILES notation for 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane?
The canonical SMILES for 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane is CC1(C)NC(=O)N(c2ccc(CC(F)(F)F)cc2)C1=O.CCC.CCN1C(=O)N(c2ccc(CC(F)(F)F)cc2)C(=O)C1(C)C.
What is the InChIKey of 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane?
The InChIKey is VVIYKAPSLNHNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2.C13H13F3N2O2.C3H8/c1-4-19-13(22)20(12(21)14(19,2)3)11-7-5-10(6-8-11)9-15(16,17)18;1-12(2)10(19)18(11(20)17-12)9-5-3-8(4-6-9)7-13(14,15)16;1-3-2/h5-8H,4,9H2,1-3H3;3-6H,7H2,1-2H3,(H,17,20);3H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane?
5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane has a molecular weight of 644.66 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;1-ethyl-5,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)phenyl]imidazolidine-2,4-dione;propane is sourced from PubChem (CID 161410166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).