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

C5H5F3N2O2 — CID 67424263

IUPAC1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC(F)(F)F)C(=O)N1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)2-10-1-3(11)9-4(10)12/h1-2H2,(H,9,11,12)
InChIKeyGRNKNSZRBFNORR-UHFFFAOYSA-N
MW182.10 g/mol
LogP0.10
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 67424263) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID67424263
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC Name1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC(F)(F)F)C(=O)N1
InChIInChI=1S/C5H5F3N2O2/c6-5(7,8)2-10-1-3(11)9-4(10)12/h1-2H2,(H,9,11,12)
InChIKeyGRNKNSZRBFNORR-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 67424263) is 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C1CN(CC(F)(F)F)C(=O)N1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is GRNKNSZRBFNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c6-5(7,8)2-10-1-3(11)9-4(10)12/h1-2H2,(H,9,11,12).
What are the key properties of 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 182.10 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 67424263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).