1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

C16H10F2N2O3 — CID 155023000

IUPAC1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H10F2N2O3/c17-10-1-5-12(6-2-10)19-14(21)9-15(22)20(16(19)23)13-7-3-11(18)4-8-13/h1-8H,9H2
InChIKeyPEBQVIFUUMNSJO-UHFFFAOYSA-N
MW316.26 g/mol
LogP2.85
Rot. Bonds2

About 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 155023000) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
PubChem CID155023000
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Name1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H10F2N2O3/c17-10-1-5-12(6-2-10)19-14(21)9-15(22)20(16(19)23)13-7-3-11(18)4-8-13/h1-8H,9H2
InChIKeyPEBQVIFUUMNSJO-UHFFFAOYSA-N
XLogP2.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis(4-fluorophenyl)-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 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione (CID 155023000) is 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is PEBQVIFUUMNSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c17-10-1-5-12(6-2-10)19-14(21)9-15(22)20(16(19)23)13-7-3-11(18)4-8-13/h1-8H,9H2.
What are the key properties of 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 316.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 155023000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).