2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine

C12H7F5N2O2 — CID 178073304

IUPAC2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
SMILESFc1ccc(-c2cnc(OC(F)F)cn2)c(OC(F)F)c1
InChIInChI=1S/C12H7F5N2O2/c13-6-1-2-7(9(3-6)20-11(14)15)8-4-19-10(5-18-8)21-12(16)17/h1-5,11-12H
InChIKeyNUXZLOVNRQJAHG-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.49
Rot. Bonds5

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

2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine (PubChem CID 178073304) has the molecular formula C12H7F5N2O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
PubChem CID178073304
Molecular FormulaC12H7F5N2O2
Molecular Weight306.19 g/mol
Exact Mass306.04
IUPAC Name2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
SMILESFc1ccc(-c2cnc(OC(F)F)cn2)c(OC(F)F)c1
InChIInChI=1S/C12H7F5N2O2/c13-6-1-2-7(9(3-6)20-11(14)15)8-4-19-10(5-18-8)21-12(16)17/h1-5,11-12H
InChIKeyNUXZLOVNRQJAHG-UHFFFAOYSA-N
XLogP3.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The IUPAC name of 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine (CID 178073304) is 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine.
What is the SMILES notation for 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The canonical SMILES for 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine is Fc1ccc(-c2cnc(OC(F)F)cn2)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The InChIKey is NUXZLOVNRQJAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2O2/c13-6-1-2-7(9(3-6)20-11(14)15)8-4-19-10(5-18-8)21-12(16)17/h1-5,11-12H.
What are the key properties of 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine?
2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine has a molecular weight of 306.19 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine is sourced from PubChem (CID 178073304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).