3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine

C12H5ClF6N2O — CID 178072918

IUPAC3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine
SMILESFc1ccc(-c2cnc(C(F)(F)F)c(Cl)n2)c(OC(F)F)c1
InChIInChI=1S/C12H5ClF6N2O/c13-10-9(12(17,18)19)20-4-7(21-10)6-2-1-5(14)3-8(6)22-11(15)16/h1-4,11H
InChIKeyURGVQXSIUFWFEG-UHFFFAOYSA-N
MW342.63 g/mol
LogP4.56
Rot. Bonds3

About 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine

3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine (PubChem CID 178072918) has the molecular formula C12H5ClF6N2O and a molecular weight of 342.63 g/mol. Its IUPAC name is 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine
PubChem CID178072918
Molecular FormulaC12H5ClF6N2O
Molecular Weight342.63 g/mol
Exact Mass342.00
IUPAC Name3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine
SMILESFc1ccc(-c2cnc(C(F)(F)F)c(Cl)n2)c(OC(F)F)c1
InChIInChI=1S/C12H5ClF6N2O/c13-10-9(12(17,18)19)20-4-7(21-10)6-2-1-5(14)3-8(6)22-11(15)16/h1-4,11H
InChIKeyURGVQXSIUFWFEG-UHFFFAOYSA-N
XLogP4.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073480
2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
CID 178072622
2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
CID 119008887
6-[6-chloro-5-(trifluoromethyl)pyrazin-2-yl]-3-fluoropyridin-2-amine
CID 178073443
1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
CID 118838147
2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
CID 178072988
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
CID 171003163
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine?
The IUPAC name of 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine (CID 178072918) is 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine.
What is the SMILES notation for 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine?
The canonical SMILES for 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine is Fc1ccc(-c2cnc(C(F)(F)F)c(Cl)n2)c(OC(F)F)c1.
What is the InChIKey of 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine?
The InChIKey is URGVQXSIUFWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF6N2O/c13-10-9(12(17,18)19)20-4-7(21-10)6-2-1-5(14)3-8(6)22-11(15)16/h1-4,11H.
What are the key properties of 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine?
3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine has a molecular weight of 342.63 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine is sourced from PubChem (CID 178072918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).