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

C8H9FN2O3 — CID 126973047

IUPAC5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione
SMILESCC1CC1N1C(=O)NC(=O)C(F)C1=O
InChIInChI=1S/C8H9FN2O3/c1-3-2-4(3)11-7(13)5(9)6(12)10-8(11)14/h3-5H,2H2,1H3,(H,10,12,14)
InChIKeyUWDXVERTJVRMFI-UHFFFAOYSA-N
MW200.17 g/mol
LogP-0.19
Rot. Bonds1

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

5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione (PubChem CID 126973047) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione
PubChem CID126973047
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione
SMILESCC1CC1N1C(=O)NC(=O)C(F)C1=O
InChIInChI=1S/C8H9FN2O3/c1-3-2-4(3)11-7(13)5(9)6(12)10-8(11)14/h3-5H,2H2,1H3,(H,10,12,14)
InChIKeyUWDXVERTJVRMFI-UHFFFAOYSA-N
XLogP-0.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione (CID 126973047) is 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione is CC1CC1N1C(=O)NC(=O)C(F)C1=O.
What is the InChIKey of 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is UWDXVERTJVRMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-3-2-4(3)11-7(13)5(9)6(12)10-8(11)14/h3-5H,2H2,1H3,(H,10,12,14).
What are the key properties of 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione?
5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 200.17 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylcyclopropyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 126973047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).