2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine

C13H9F5N2O — CID 178073480

IUPAC2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
SMILESCC(F)(F)c1cnc(-c2ccc(F)cc2OC(F)F)cn1
InChIInChI=1S/C13H9F5N2O/c1-13(17,18)11-6-19-9(5-20-11)8-3-2-7(14)4-10(8)21-12(15)16/h2-6,12H,1H3
InChIKeyCRXISTFJBLUWJK-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.00
Rot. Bonds4

About 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine

2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine (PubChem CID 178073480) has the molecular formula C13H9F5N2O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
PubChem CID178073480
Molecular FormulaC13H9F5N2O
Molecular Weight304.22 g/mol
Exact Mass304.06
IUPAC Name2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
SMILESCC(F)(F)c1cnc(-c2ccc(F)cc2OC(F)F)cn1
InChIInChI=1S/C13H9F5N2O/c1-13(17,18)11-6-19-9(5-20-11)8-3-2-7(14)4-10(8)21-12(15)16/h2-6,12H,1H3
InChIKeyCRXISTFJBLUWJK-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine
CID 178072918
2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
CID 178072988
1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
CID 178072622
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
ethyl 2-[5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazin-2-yl]acetate
CID 178073337
2-(difluoromethoxy)-5-(2-methoxy-4-methylphenyl)pyrazine
CID 178073329
3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine
CID 176611270
1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
CID 118838147
2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
CID 119008887
2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine
CID 178073277
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine (CID 178073480) is 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine is CC(F)(F)c1cnc(-c2ccc(F)cc2OC(F)F)cn1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The InChIKey is CRXISTFJBLUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O/c1-13(17,18)11-6-19-9(5-20-11)8-3-2-7(14)4-10(8)21-12(15)16/h2-6,12H,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine?
2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine has a molecular weight of 304.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine is sourced from PubChem (CID 178073480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).