2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine

C6H4ClF3N2O — CID 24689340

IUPAC2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine
SMILESFC(F)(F)COc1cncc(Cl)n1
InChIInChI=1S/C6H4ClF3N2O/c7-4-1-11-2-5(12-4)13-3-6(8,9)10/h1-2H,3H2
InChIKeyUCAZQUDLXKULAG-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.07
Rot. Bonds2

About 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine

2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine (PubChem CID 24689340) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine
PubChem CID24689340
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine
SMILESFC(F)(F)COc1cncc(Cl)n1
InChIInChI=1S/C6H4ClF3N2O/c7-4-1-11-2-5(12-4)13-3-6(8,9)10/h1-2H,3H2
InChIKeyUCAZQUDLXKULAG-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine?
The IUPAC name of 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine (CID 24689340) is 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine.
What is the SMILES notation for 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine?
The canonical SMILES for 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine is FC(F)(F)COc1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine?
The InChIKey is UCAZQUDLXKULAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-4-1-11-2-5(12-4)13-3-6(8,9)10/h1-2H,3H2.
What are the key properties of 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine?
2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine has a molecular weight of 212.56 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,2,2-trifluoroethoxy)pyrazine is sourced from PubChem (CID 24689340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).