2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine

C11H6ClF3N2O — CID 21266842

IUPAC2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine
SMILESFC(F)(F)c1cccc(Oc2cncc(Cl)n2)c1
InChIInChI=1S/C11H6ClF3N2O/c12-9-5-16-6-10(17-9)18-8-3-1-2-7(4-8)11(13,14)15/h1-6H
InChIKeyZZXWXGVXVLZNFK-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.94
Rot. Bonds2

About 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine

2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine (PubChem CID 21266842) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine
PubChem CID21266842
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine
SMILESFC(F)(F)c1cccc(Oc2cncc(Cl)n2)c1
InChIInChI=1S/C11H6ClF3N2O/c12-9-5-16-6-10(17-9)18-8-3-1-2-7(4-8)11(13,14)15/h1-6H
InChIKeyZZXWXGVXVLZNFK-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine?
The IUPAC name of 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine (CID 21266842) is 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine is FC(F)(F)c1cccc(Oc2cncc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine?
The InChIKey is ZZXWXGVXVLZNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-9-5-16-6-10(17-9)18-8-3-1-2-7(4-8)11(13,14)15/h1-6H.
What are the key properties of 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine?
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine has a molecular weight of 274.63 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyrazine is sourced from PubChem (CID 21266842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).