2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine

C6H4F4N2O — CID 133054545

IUPAC2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine
SMILESFc1nccnc1OCC(F)(F)F
InChIInChI=1S/C6H4F4N2O/c7-4-5(12-2-1-11-4)13-3-6(8,9)10/h1-2H,3H2
InChIKeyGEASQIYNKJNWCF-UHFFFAOYSA-N
MW196.10 g/mol
LogP1.56
Rot. Bonds2

About 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine

2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine (PubChem CID 133054545) has the molecular formula C6H4F4N2O and a molecular weight of 196.10 g/mol. Its IUPAC name is 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine.

Molecular Properties

Compound Name2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine
PubChem CID133054545
Molecular FormulaC6H4F4N2O
Molecular Weight196.10 g/mol
Exact Mass196.03
IUPAC Name2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine
SMILESFc1nccnc1OCC(F)(F)F
InChIInChI=1S/C6H4F4N2O/c7-4-5(12-2-1-11-4)13-3-6(8,9)10/h1-2H,3H2
InChIKeyGEASQIYNKJNWCF-UHFFFAOYSA-N
XLogP1.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine?
The IUPAC name of 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine (CID 133054545) is 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine.
What is the SMILES notation for 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine?
The canonical SMILES for 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine is Fc1nccnc1OCC(F)(F)F.
What is the InChIKey of 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine?
The InChIKey is GEASQIYNKJNWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O/c7-4-5(12-2-1-11-4)13-3-6(8,9)10/h1-2H,3H2.
What are the key properties of 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine?
2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine has a molecular weight of 196.10 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine is sourced from PubChem (CID 133054545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).