5-(trifluoromethyl)imidazolidine-2,4-dione

C4H3F3N2O2 — CID 45120815

IUPAC5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C(F)(F)F)N1
InChIInChI=1S/C4H3F3N2O2/c5-4(6,7)1-2(10)9-3(11)8-1/h1H,(H2,8,9,10,11)
InChIKeyUPQODHIVSJQJJZ-UHFFFAOYSA-N
MW168.07 g/mol
LogP-0.24
Rot. Bonds

About 5-(trifluoromethyl)imidazolidine-2,4-dione

5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 45120815) has the molecular formula C4H3F3N2O2 and a molecular weight of 168.07 g/mol. Its IUPAC name is 5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID45120815
Molecular FormulaC4H3F3N2O2
Molecular Weight168.07 g/mol
Exact Mass168.01
IUPAC Name5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C(F)(F)F)N1
InChIInChI=1S/C4H3F3N2O2/c5-4(6,7)1-2(10)9-3(11)8-1/h1H,(H2,8,9,10,11)
InChIKeyUPQODHIVSJQJJZ-UHFFFAOYSA-N
XLogP-0.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.07
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(trifluoromethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(trifluoromethyl)imidazolidine-2,4-dione (CID 45120815) is 5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(trifluoromethyl)imidazolidine-2,4-dione is O=C1NC(=O)C(C(F)(F)F)N1.
What is the InChIKey of 5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is UPQODHIVSJQJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O2/c5-4(6,7)1-2(10)9-3(11)8-1/h1H,(H2,8,9,10,11).
What are the key properties of 5-(trifluoromethyl)imidazolidine-2,4-dione?
5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 168.07 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45120815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).