4-(2-fluoroethyl)-1H-pyrazine-2,3-dione

C6H7FN2O2 — CID 121199575

IUPAC4-(2-fluoroethyl)-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(CCF)c1=O
InChIInChI=1S/C6H7FN2O2/c7-1-3-9-4-2-8-5(10)6(9)11/h2,4H,1,3H2,(H,8,10)
InChIKeyVOLUQWAJSPNHJW-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.49
Rot. Bonds2

About 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione

4-(2-fluoroethyl)-1H-pyrazine-2,3-dione (PubChem CID 121199575) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1H-pyrazine-2,3-dione
PubChem CID121199575
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name4-(2-fluoroethyl)-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(CCF)c1=O
InChIInChI=1S/C6H7FN2O2/c7-1-3-9-4-2-8-5(10)6(9)11/h2,4H,1,3H2,(H,8,10)
InChIKeyVOLUQWAJSPNHJW-UHFFFAOYSA-N
XLogP-0.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione?
The IUPAC name of 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione (CID 121199575) is 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione is O=c1[nH]ccn(CCF)c1=O.
What is the InChIKey of 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione?
The InChIKey is VOLUQWAJSPNHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-1-3-9-4-2-8-5(10)6(9)11/h2,4H,1,3H2,(H,8,10).
What are the key properties of 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione?
4-(2-fluoroethyl)-1H-pyrazine-2,3-dione has a molecular weight of 158.13 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1H-pyrazine-2,3-dione is sourced from PubChem (CID 121199575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).