5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione

C11H11FN2O4 — CID 19095654

IUPAC5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione
SMILESCOc1ccc(F)cc1OC1C(=O)NCNC1=O
InChIInChI=1S/C11H11FN2O4/c1-17-7-3-2-6(12)4-8(7)18-9-10(15)13-5-14-11(9)16/h2-4,9H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyJERVECXEDNHINB-UHFFFAOYSA-N
MW254.22 g/mol
LogP-0.21
Rot. Bonds3

About 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione

5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione (PubChem CID 19095654) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione
PubChem CID19095654
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione
SMILESCOc1ccc(F)cc1OC1C(=O)NCNC1=O
InChIInChI=1S/C11H11FN2O4/c1-17-7-3-2-6(12)4-8(7)18-9-10(15)13-5-14-11(9)16/h2-4,9H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyJERVECXEDNHINB-UHFFFAOYSA-N
XLogP-0.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
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-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione?
The IUPAC name of 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione (CID 19095654) is 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione is COc1ccc(F)cc1OC1C(=O)NCNC1=O.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione?
The InChIKey is JERVECXEDNHINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c1-17-7-3-2-6(12)4-8(7)18-9-10(15)13-5-14-11(9)16/h2-4,9H,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione?
5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione has a molecular weight of 254.22 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenoxy)-1,3-diazinane-4,6-dione is sourced from PubChem (CID 19095654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).