2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone

C12H5ClF4N2O — CID 89309515

IUPAC2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1ccc(F)cc1F)C(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C12H5ClF4N2O/c13-10-5-18-9(4-19-10)12(16,17)11(20)7-2-1-6(14)3-8(7)15/h1-5H
InChIKeyHPJCFRHGNKWHRQ-UHFFFAOYSA-N
MW304.63 g/mol
LogP3.38
Rot. Bonds3

About 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone

2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone (PubChem CID 89309515) has the molecular formula C12H5ClF4N2O and a molecular weight of 304.63 g/mol. Its IUPAC name is 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone
PubChem CID89309515
Molecular FormulaC12H5ClF4N2O
Molecular Weight304.63 g/mol
Exact Mass304.00
IUPAC Name2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone
SMILESO=C(c1ccc(F)cc1F)C(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C12H5ClF4N2O/c13-10-5-18-9(4-19-10)12(16,17)11(20)7-2-1-6(14)3-8(7)15/h1-5H
InChIKeyHPJCFRHGNKWHRQ-UHFFFAOYSA-N
XLogP3.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.63
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone?
The IUPAC name of 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone (CID 89309515) is 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone?
The canonical SMILES for 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone is O=C(c1ccc(F)cc1F)C(F)(F)c1cnc(Cl)cn1.
What is the InChIKey of 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone?
The InChIKey is HPJCFRHGNKWHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF4N2O/c13-10-5-18-9(4-19-10)12(16,17)11(20)7-2-1-6(14)3-8(7)15/h1-5H.
What are the key properties of 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone?
2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone has a molecular weight of 304.63 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrazin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 89309515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).