1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione

C9H3ClF2N2O3 — CID 83087257

IUPAC1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2c(F)cc(F)cc2Cl)C1=O
InChIInChI=1S/C9H3ClF2N2O3/c10-4-1-3(11)2-5(12)6(4)14-8(16)7(15)13-9(14)17/h1-2H,(H,13,15,17)
InChIKeyABQFEJBFYBOBFZ-UHFFFAOYSA-N
MW260.58 g/mol
LogP1.20
Rot. Bonds1

About 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione

1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione (PubChem CID 83087257) has the molecular formula C9H3ClF2N2O3 and a molecular weight of 260.58 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione
PubChem CID83087257
Molecular FormulaC9H3ClF2N2O3
Molecular Weight260.58 g/mol
Exact Mass259.98
IUPAC Name1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(c2c(F)cc(F)cc2Cl)C1=O
InChIInChI=1S/C9H3ClF2N2O3/c10-4-1-3(11)2-5(12)6(4)14-8(16)7(15)13-9(14)17/h1-2H,(H,13,15,17)
InChIKeyABQFEJBFYBOBFZ-UHFFFAOYSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.58
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione (CID 83087257) is 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(c2c(F)cc(F)cc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione?
The InChIKey is ABQFEJBFYBOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF2N2O3/c10-4-1-3(11)2-5(12)6(4)14-8(16)7(15)13-9(14)17/h1-2H,(H,13,15,17).
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione?
1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione has a molecular weight of 260.58 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluorophenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 83087257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).