5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione

C11H8FIN2O3 — CID 114258108

IUPAC5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1c(I)cccc1N1C(=O)NC(=O)C(F)C1=O
InChIInChI=1S/C11H8FIN2O3/c1-5-6(13)3-2-4-7(5)15-10(17)8(12)9(16)14-11(15)18/h2-4,8H,1H3,(H,14,16,18)
InChIKeyUSSJMUHMCLQTIY-UHFFFAOYSA-N
MW362.10 g/mol
LogP1.52
Rot. Bonds1

About 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione

5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 114258108) has the molecular formula C11H8FIN2O3 and a molecular weight of 362.10 g/mol. Its IUPAC name is 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID114258108
Molecular FormulaC11H8FIN2O3
Molecular Weight362.10 g/mol
Exact Mass361.96
IUPAC Name5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCc1c(I)cccc1N1C(=O)NC(=O)C(F)C1=O
InChIInChI=1S/C11H8FIN2O3/c1-5-6(13)3-2-4-7(5)15-10(17)8(12)9(16)14-11(15)18/h2-4,8H,1H3,(H,14,16,18)
InChIKeyUSSJMUHMCLQTIY-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione 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-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione (CID 114258108) is 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione is Cc1c(I)cccc1N1C(=O)NC(=O)C(F)C1=O.
What is the InChIKey of 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is USSJMUHMCLQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O3/c1-5-6(13)3-2-4-7(5)15-10(17)8(12)9(16)14-11(15)18/h2-4,8H,1H3,(H,14,16,18).
What are the key properties of 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione?
5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 362.10 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-iodo-2-methylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114258108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).