2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine

C13H11F3N2O — CID 59112980

IUPAC2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESCCc1nccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c1-2-11-12(18-8-7-17-11)19-10-5-3-9(4-6-10)13(14,15)16/h3-8H,2H2,1H3
InChIKeyJZQDXOLMRDNOMI-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.85
Rot. Bonds3

About 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine

2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine (PubChem CID 59112980) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine.

Molecular Properties

Compound Name2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine
PubChem CID59112980
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESCCc1nccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O/c1-2-11-12(18-8-7-17-11)19-10-5-3-9(4-6-10)13(14,15)16/h3-8H,2H2,1H3
InChIKeyJZQDXOLMRDNOMI-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The IUPAC name of 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine (CID 59112980) is 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine.
What is the SMILES notation for 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The canonical SMILES for 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine is CCc1nccnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The InChIKey is JZQDXOLMRDNOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-2-11-12(18-8-7-17-11)19-10-5-3-9(4-6-10)13(14,15)16/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine has a molecular weight of 268.24 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-(trifluoromethyl)phenoxy]pyrazine is sourced from PubChem (CID 59112980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).