5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione

C5H3FN2O3 — CID 88804947

IUPAC5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione
SMILESO=C=C1NC(=O)NC(=O)C1F
InChIInChI=1S/C5H3FN2O3/c6-3-2(1-9)7-5(11)8-4(3)10/h3H,(H2,7,8,10,11)
InChIKeyRAEICVOMYHZRGR-UHFFFAOYSA-N
MW158.09 g/mol
LogP-1.12
Rot. Bonds

About 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione

5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione (PubChem CID 88804947) has the molecular formula C5H3FN2O3 and a molecular weight of 158.09 g/mol. Its IUPAC name is 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione
PubChem CID88804947
Molecular FormulaC5H3FN2O3
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Name5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione
SMILESO=C=C1NC(=O)NC(=O)C1F
InChIInChI=1S/C5H3FN2O3/c6-3-2(1-9)7-5(11)8-4(3)10/h3H,(H2,7,8,10,11)
InChIKeyRAEICVOMYHZRGR-UHFFFAOYSA-N
XLogP-1.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

Analyze 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione 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-6-(oxomethylidene)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione (CID 88804947) is 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione is O=C=C1NC(=O)NC(=O)C1F.
What is the InChIKey of 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione?
The InChIKey is RAEICVOMYHZRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3/c6-3-2(1-9)7-5(11)8-4(3)10/h3H,(H2,7,8,10,11).
What are the key properties of 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione?
5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione has a molecular weight of 158.09 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(oxomethylidene)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 88804947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).