3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one

C12H8F4N2O — CID 19365516

IUPAC3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H8F4N2O/c1-18-9(12(14,15)16)6-17-10(11(18)19)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyUCIPXYDAFYDOEG-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.61
Rot. Bonds1

About 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one

3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one (PubChem CID 19365516) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
PubChem CID19365516
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C12H8F4N2O/c1-18-9(12(14,15)16)6-17-10(11(18)19)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyUCIPXYDAFYDOEG-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one (CID 19365516) is 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one is Cn1c(C(F)(F)F)cnc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The InChIKey is UCIPXYDAFYDOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c1-18-9(12(14,15)16)6-17-10(11(18)19)7-2-4-8(13)5-3-7/h2-6H,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one has a molecular weight of 272.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one is sourced from PubChem (CID 19365516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).