1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione

C8H9F3N2O3 — CID 115521630

IUPAC1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)3-1-2-4-13-6(15)5(14)12-7(13)16/h1-4H2,(H,12,14,16)
InChIKeyHLSOCAHHYGXYFR-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.80
Rot. Bonds4

About 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione

1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione (PubChem CID 115521630) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione
PubChem CID115521630
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)3-1-2-4-13-6(15)5(14)12-7(13)16/h1-4H2,(H,12,14,16)
InChIKeyHLSOCAHHYGXYFR-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione (CID 115521630) is 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(CCCCC(F)(F)F)C1=O.
What is the InChIKey of 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione?
The InChIKey is HLSOCAHHYGXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)3-1-2-4-13-6(15)5(14)12-7(13)16/h1-4H2,(H,12,14,16).
What are the key properties of 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione?
1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione has a molecular weight of 238.16 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 115521630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).