5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione

C10H7FN2O2 — CID 118714565

IUPAC5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-12-9(14)10(15)13-8/h1-5H,(H,12,14)(H,13,15)
InChIKeyQVRAIDOEWFBNTI-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.87
Rot. Bonds1

About 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione

5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione (PubChem CID 118714565) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione
PubChem CID118714565
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-12-9(14)10(15)13-8/h1-5H,(H,12,14)(H,13,15)
InChIKeyQVRAIDOEWFBNTI-UHFFFAOYSA-N
XLogP0.87
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione (CID 118714565) is 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione is O=c1[nH]cc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione?
The InChIKey is QVRAIDOEWFBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-12-9(14)10(15)13-8/h1-5H,(H,12,14)(H,13,15).
What are the key properties of 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione?
5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione has a molecular weight of 206.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 118714565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).