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

C6H7FN2O3 — CID 3976613

IUPAC5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione
SMILESCCC1(F)C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H7FN2O3/c1-2-6(7)3(10)8-5(12)9-4(6)11/h2H2,1H3,(H2,8,9,10,11,12)
InChIKeyOZUJNZTWTJELFX-UHFFFAOYSA-N
MW174.13 g/mol
LogP-0.53
Rot. Bonds1

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

5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione (PubChem CID 3976613) has the molecular formula C6H7FN2O3 and a molecular weight of 174.13 g/mol. Its IUPAC name is 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione
PubChem CID3976613
Molecular FormulaC6H7FN2O3
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione
SMILESCCC1(F)C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H7FN2O3/c1-2-6(7)3(10)8-5(12)9-4(6)11/h2H2,1H3,(H2,8,9,10,11,12)
InChIKeyOZUJNZTWTJELFX-UHFFFAOYSA-N
XLogP-0.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
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-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione (CID 3976613) is 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione is CCC1(F)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione?
The InChIKey is OZUJNZTWTJELFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3/c1-2-6(7)3(10)8-5(12)9-4(6)11/h2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione?
5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione has a molecular weight of 174.13 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-fluoro-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3976613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).