1-(2-fluorobutyl)pyrazin-2-one

C8H11FN2O — CID 130645013

IUPAC1-(2-fluorobutyl)pyrazin-2-one
SMILESCCC(F)Cn1ccncc1=O
InChIInChI=1S/C8H11FN2O/c1-2-7(9)6-11-4-3-10-5-8(11)12/h3-5,7H,2,6H2,1H3
InChIKeyIAALVIOEHJXSMW-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.99
Rot. Bonds3

About 1-(2-fluorobutyl)pyrazin-2-one

1-(2-fluorobutyl)pyrazin-2-one (PubChem CID 130645013) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-(2-fluorobutyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-fluorobutyl)pyrazin-2-one
PubChem CID130645013
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name1-(2-fluorobutyl)pyrazin-2-one
SMILESCCC(F)Cn1ccncc1=O
InChIInChI=1S/C8H11FN2O/c1-2-7(9)6-11-4-3-10-5-8(11)12/h3-5,7H,2,6H2,1H3
InChIKeyIAALVIOEHJXSMW-UHFFFAOYSA-N
XLogP0.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobutyl)pyrazin-2-one?
The IUPAC name of 1-(2-fluorobutyl)pyrazin-2-one (CID 130645013) is 1-(2-fluorobutyl)pyrazin-2-one.
What is the SMILES notation for 1-(2-fluorobutyl)pyrazin-2-one?
The canonical SMILES for 1-(2-fluorobutyl)pyrazin-2-one is CCC(F)Cn1ccncc1=O.
What is the InChIKey of 1-(2-fluorobutyl)pyrazin-2-one?
The InChIKey is IAALVIOEHJXSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-2-7(9)6-11-4-3-10-5-8(11)12/h3-5,7H,2,6H2,1H3.
What are the key properties of 1-(2-fluorobutyl)pyrazin-2-one?
1-(2-fluorobutyl)pyrazin-2-one has a molecular weight of 170.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobutyl)pyrazin-2-one is sourced from PubChem (CID 130645013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).