1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one

C18H14F2N2O — CID 142490591

IUPAC1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one
SMILESCCn1c(-c2ccccc2F)c(-c2ccccc2F)ncc1=O
InChIInChI=1S/C18H14F2N2O/c1-2-22-16(23)11-21-17(12-7-3-5-9-14(12)19)18(22)13-8-4-6-10-15(13)20/h3-11H,2H2,1H3
InChIKeyJIKDKSPKQQAICB-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.88
Rot. Bonds3

About 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one

1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one (PubChem CID 142490591) has the molecular formula C18H14F2N2O and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one
PubChem CID142490591
Molecular FormulaC18H14F2N2O
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one
SMILESCCn1c(-c2ccccc2F)c(-c2ccccc2F)ncc1=O
InChIInChI=1S/C18H14F2N2O/c1-2-22-16(23)11-21-17(12-7-3-5-9-14(12)19)18(22)13-8-4-6-10-15(13)20/h3-11H,2H2,1H3
InChIKeyJIKDKSPKQQAICB-UHFFFAOYSA-N
XLogP3.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one?
The IUPAC name of 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one (CID 142490591) is 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one?
The canonical SMILES for 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one is CCn1c(-c2ccccc2F)c(-c2ccccc2F)ncc1=O.
What is the InChIKey of 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one?
The InChIKey is JIKDKSPKQQAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O/c1-2-22-16(23)11-21-17(12-7-3-5-9-14(12)19)18(22)13-8-4-6-10-15(13)20/h3-11H,2H2,1H3.
What are the key properties of 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one?
1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one has a molecular weight of 312.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-bis(2-fluorophenyl)pyrazin-2-one is sourced from PubChem (CID 142490591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).