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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Related Compounds

1-(4-chloro-2-fluorophenyl)-2,2-difluoro-2-pyridin-2-ylethanone
CID 71143728
N-(5-chloropyrazin-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 107595721
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine
CID 161155453
1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyltetrazol-5-yl)ethanone
CID 70509397
(Z)-4-(2,4-difluorophenyl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 22400699
2,4-difluorobenzoyl bromide
CID 87349807
2-chloro-5-(trifluoromethyl)pyrazine;ethane
CID 144826305
4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-oxoethyl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-(2,4-difluorophenyl)-2-ethoxy-1,1-difluoro-2-hydroxyethyl]-3-pyridinyl]oxy]benzonitrile;methane;molecular iodine
CID 157330326
2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
N-(5-chloropyrazin-2-yl)-4-fluoro-2-nitrobenzamide
CID 107595729

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).