1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione

C8H11F3N2O2 — CID 154265681

IUPAC1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione
SMILESCCC(CC(F)(F)F)N1CC(=O)NC1=O
InChIInChI=1S/C8H11F3N2O2/c1-2-5(3-8(9,10)11)13-4-6(14)12-7(13)15/h5H,2-4H2,1H3,(H,12,14,15)
InChIKeyBCURKENBMISIHB-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.27
Rot. Bonds3

About 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione

1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione (PubChem CID 154265681) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione
PubChem CID154265681
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione
SMILESCCC(CC(F)(F)F)N1CC(=O)NC1=O
InChIInChI=1S/C8H11F3N2O2/c1-2-5(3-8(9,10)11)13-4-6(14)12-7(13)15/h5H,2-4H2,1H3,(H,12,14,15)
InChIKeyBCURKENBMISIHB-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1,1,1-trifluoropentan-3-yl)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 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione (CID 154265681) is 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione is CCC(CC(F)(F)F)N1CC(=O)NC1=O.
What is the InChIKey of 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione?
The InChIKey is BCURKENBMISIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-2-5(3-8(9,10)11)13-4-6(14)12-7(13)15/h5H,2-4H2,1H3,(H,12,14,15).
What are the key properties of 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione?
1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione has a molecular weight of 224.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropentan-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 154265681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).