2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine

C9H9F3N2O — CID 176926467

IUPAC2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine
SMILESC=C(C)COc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O/c1-6(2)5-15-8-4-13-7(3-14-8)9(10,11)12/h3-4H,1,5H2,2H3
InChIKeyCLTRAOLYLOAULM-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine

2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine (PubChem CID 176926467) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine
PubChem CID176926467
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine
SMILESC=C(C)COc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O/c1-6(2)5-15-8-4-13-7(3-14-8)9(10,11)12/h3-4H,1,5H2,2H3
InChIKeyCLTRAOLYLOAULM-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

3-oxo-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypropanoic acid
CID 126666663
2-chloro-5-(trifluoromethyl)pyrazine;ethane
CID 144826305
(1S,4S,6S)-4-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3-azabicyclo[4.1.0]heptane
CID 70210966
tert-butyl 2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]pyrrolidine-1-carboxylate;ethane
CID 170977473
trimethyl-[5-(trifluoromethyl)pyrazin-2-yl]stannane
CID 131748996
4-(3-methylbut-3-enoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566627
5-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrimidine
CID 89033887
2-bromo-2-[5-(trifluoromethyl)pyrazin-2-yl]propanoic acid
CID 121348147
ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 144993722
[5-(trifluoromethyl)pyrazin-2-yl]boronic acid
CID 119086011
2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine
CID 161405503
2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 127031593

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine (CID 176926467) is 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine is C=C(C)COc1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine?
The InChIKey is CLTRAOLYLOAULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-6(2)5-15-8-4-13-7(3-14-8)9(10,11)12/h3-4H,1,5H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine?
2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine has a molecular weight of 218.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 176926467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).