2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine

C9H9F3N2O — CID 166150427

IUPAC2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine
SMILESC=C(OCC)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O/c1-3-15-6(2)7-4-14-8(5-13-7)9(10,11)12/h4-5H,2-3H2,1H3
InChIKeyBAMIIBRBCJGQLJ-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.50
Rot. Bonds3

About 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine

2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine (PubChem CID 166150427) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine
PubChem CID166150427
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine
SMILESC=C(OCC)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O/c1-3-15-6(2)7-4-14-8(5-13-7)9(10,11)12/h4-5H,2-3H2,1H3
InChIKeyBAMIIBRBCJGQLJ-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine (CID 166150427) is 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine is C=C(OCC)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine?
The InChIKey is BAMIIBRBCJGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-3-15-6(2)7-4-14-8(5-13-7)9(10,11)12/h4-5H,2-3H2,1H3.
What are the key properties of 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine?
2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine has a molecular weight of 218.18 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 166150427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).