5-fluoro-1,3-diazinane-2,4,6-trione

C4H3FN2O3 — CID 12560505

IUPAC5-fluoro-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(F)C(=O)N1
InChIInChI=1S/C4H3FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10)
InChIKeyHSLXWCNTARBVLS-UHFFFAOYSA-N
MW146.08 g/mol
LogP-1.31
Rot. Bonds

About 5-fluoro-1,3-diazinane-2,4,6-trione

5-fluoro-1,3-diazinane-2,4,6-trione (PubChem CID 12560505) has the molecular formula C4H3FN2O3 and a molecular weight of 146.08 g/mol. Its IUPAC name is 5-fluoro-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-fluoro-1,3-diazinane-2,4,6-trione
PubChem CID12560505
Molecular FormulaC4H3FN2O3
Molecular Weight146.08 g/mol
Exact Mass146.01
IUPAC Name5-fluoro-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(F)C(=O)N1
InChIInChI=1S/C4H3FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10)
InChIKeyHSLXWCNTARBVLS-UHFFFAOYSA-N
XLogP-1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-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-diazinane-2,4,6-trione?
The IUPAC name of 5-fluoro-1,3-diazinane-2,4,6-trione (CID 12560505) is 5-fluoro-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-fluoro-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-fluoro-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(F)C(=O)N1.
What is the InChIKey of 5-fluoro-1,3-diazinane-2,4,6-trione?
The InChIKey is HSLXWCNTARBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10).
What are the key properties of 5-fluoro-1,3-diazinane-2,4,6-trione?
5-fluoro-1,3-diazinane-2,4,6-trione has a molecular weight of 146.08 g/mol, XLogP of -1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12560505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).