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

C11H15FN2O4 — CID 114120604

IUPAC5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione
SMILESCOC1CC(N2C(=O)NC(=O)C(F)C2=O)C1(C)C
InChIInChI=1S/C11H15FN2O4/c1-11(2)5(4-6(11)18-3)14-9(16)7(12)8(15)13-10(14)17/h5-7H,4H2,1-3H3,(H,13,15,17)
InChIKeyMMUHIPWJTJCUTF-UHFFFAOYSA-N
MW258.25 g/mol
LogP0.22
Rot. Bonds2

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

5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione (PubChem CID 114120604) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione
PubChem CID114120604
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione
SMILESCOC1CC(N2C(=O)NC(=O)C(F)C2=O)C1(C)C
InChIInChI=1S/C11H15FN2O4/c1-11(2)5(4-6(11)18-3)14-9(16)7(12)8(15)13-10(14)17/h5-7H,4H2,1-3H3,(H,13,15,17)
InChIKeyMMUHIPWJTJCUTF-UHFFFAOYSA-N
XLogP0.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione (CID 114120604) is 5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione is COC1CC(N2C(=O)NC(=O)C(F)C2=O)C1(C)C.
What is the InChIKey of 5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is MMUHIPWJTJCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-11(2)5(4-6(11)18-3)14-9(16)7(12)8(15)13-10(14)17/h5-7H,4H2,1-3H3,(H,13,15,17).
What are the key properties of 5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione?
5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 258.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methoxy-2,2-dimethylcyclobutyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114120604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).