3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C11H8F3N3O4 — CID 79264850

IUPAC3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8F3N3O4/c12-11(13,14)6-15-5-9(18)16(10(15)19)7-1-3-8(4-2-7)17(20)21/h1-4H,5-6H2
InChIKeyDXGDIJVHOADCQS-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.93
Rot. Bonds3

About 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 79264850) has the molecular formula C11H8F3N3O4 and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID79264850
Molecular FormulaC11H8F3N3O4
Molecular Weight303.20 g/mol
Exact Mass303.05
IUPAC Name3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8F3N3O4/c12-11(13,14)6-15-5-9(18)16(10(15)19)7-1-3-8(4-2-7)17(20)21/h1-4H,5-6H2
InChIKeyDXGDIJVHOADCQS-UHFFFAOYSA-N
XLogP1.93
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 79264850) is 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C1CN(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is DXGDIJVHOADCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O4/c12-11(13,14)6-15-5-9(18)16(10(15)19)7-1-3-8(4-2-7)17(20)21/h1-4H,5-6H2.
What are the key properties of 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 303.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79264850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).