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

C12H7F5N2O — CID 19365512

IUPAC3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc(F)cc2F)c1=O
InChIInChI=1S/C12H7F5N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)7-3-2-6(13)4-8(7)14/h2-5H,1H3
InChIKeyGQBLVLLSKMUZQR-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.74
Rot. Bonds1

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

3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one (PubChem CID 19365512) has the molecular formula C12H7F5N2O and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
PubChem CID19365512
Molecular FormulaC12H7F5N2O
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc(F)cc2F)c1=O
InChIInChI=1S/C12H7F5N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)7-3-2-6(13)4-8(7)14/h2-5H,1H3
InChIKeyGQBLVLLSKMUZQR-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 154708519
5-Chloro-1-(pent-4-en-1-yl)-3-phenylpyrazin-2(1H)-one
CID 15498466
7-Methyl-2-phenylimidazo[1,2-a]pyrazin-3(7H)-one
CID 71346482
4-Methyl-6-phenyl-2,3-dihydropyrazin-5-one
CID 11275485
6-Methyl-3-phenylpyrazin-2(1H)-one
CID 12566001
N-ethyl-2-(2-fluorophenyl)-N-(3,3,3-trifluoropropyl)acetamide
CID 56822287
3-(2,4-difluorophenyl)-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 15457047
3-(4-Chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365486
3-(2,4-Difluorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365505
3-(4-Fluorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365509
3-(5-Amino-4-fluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365514
3-(4-Fluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365516

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one (CID 19365512) is 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one is Cn1c(C(F)(F)F)cnc(-c2ccc(F)cc2F)c1=O.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The InChIKey is GQBLVLLSKMUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)7-3-2-6(13)4-8(7)14/h2-5H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one has a molecular weight of 290.19 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one is sourced from PubChem (CID 19365512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).