1-(2,2,2-trifluoroethyl)pyrazin-2-one

C6H5F3N2O — CID 130538582

IUPAC1-(2,2,2-trifluoroethyl)pyrazin-2-one
SMILESO=c1cnccn1CC(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-11-2-1-10-3-5(11)12/h1-3H,4H2
InChIKeyHPJUCLONAGIUOX-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.81
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyrazin-2-one

1-(2,2,2-trifluoroethyl)pyrazin-2-one (PubChem CID 130538582) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrazin-2-one
PubChem CID130538582
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name1-(2,2,2-trifluoroethyl)pyrazin-2-one
SMILESO=c1cnccn1CC(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-11-2-1-10-3-5(11)12/h1-3H,4H2
InChIKeyHPJUCLONAGIUOX-UHFFFAOYSA-N
XLogP0.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazin-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazin-2-one (CID 130538582) is 1-(2,2,2-trifluoroethyl)pyrazin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrazin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrazin-2-one is O=c1cnccn1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrazin-2-one?
The InChIKey is HPJUCLONAGIUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)4-11-2-1-10-3-5(11)12/h1-3H,4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrazin-2-one?
1-(2,2,2-trifluoroethyl)pyrazin-2-one has a molecular weight of 178.11 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrazin-2-one is sourced from PubChem (CID 130538582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).