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

C6H7FN2O3 — CID 13319083

IUPAC5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(F)C(=O)N(C)C1=O
InChIInChI=1S/C6H7FN2O3/c1-8-4(10)3(7)5(11)9(2)6(8)12/h3H,1-2H3
InChIKeyZPLZNRHNIZLPSE-UHFFFAOYSA-N
MW174.13 g/mol
LogP-0.63
Rot. Bonds

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

5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 13319083) has the molecular formula C6H7FN2O3 and a molecular weight of 174.13 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID13319083
Molecular FormulaC6H7FN2O3
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(F)C(=O)N(C)C1=O
InChIInChI=1S/C6H7FN2O3/c1-8-4(10)3(7)5(11)9(2)6(8)12/h3H,1-2H3
InChIKeyZPLZNRHNIZLPSE-UHFFFAOYSA-N
XLogP-0.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
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-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 13319083) is 5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(F)C(=O)N(C)C1=O.
What is the InChIKey of 5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZPLZNRHNIZLPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3/c1-8-4(10)3(7)5(11)9(2)6(8)12/h3H,1-2H3.
What are the key properties of 5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 174.13 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13319083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).