5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione

C11H15FN2O3 — CID 144530709

IUPAC5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione
SMILESCCCC(C=C1C(=O)NC(=O)NC1=O)C(C)F
InChIInChI=1S/C11H15FN2O3/c1-3-4-7(6(2)12)5-8-9(15)13-11(17)14-10(8)16/h5-7H,3-4H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyWGYXPIDTADNVLV-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.05
Rot. Bonds4

About 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione

5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 144530709) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione
PubChem CID144530709
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione
SMILESCCCC(C=C1C(=O)NC(=O)NC1=O)C(C)F
InChIInChI=1S/C11H15FN2O3/c1-3-4-7(6(2)12)5-8-9(15)13-11(17)14-10(8)16/h5-7H,3-4H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyWGYXPIDTADNVLV-UHFFFAOYSA-N
XLogP1.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[2-(1-fluoroethyl)pentylidene]-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-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione (CID 144530709) is 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione is CCCC(C=C1C(=O)NC(=O)NC1=O)C(C)F.
What is the InChIKey of 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is WGYXPIDTADNVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-3-4-7(6(2)12)5-8-9(15)13-11(17)14-10(8)16/h5-7H,3-4H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione?
5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 242.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-fluoroethyl)pentylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 144530709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).