2-tert-butyl-5-(trifluoromethyl)pyrazine

C9H11F3N2 — CID 58088206

IUPAC2-tert-butyl-5-(trifluoromethyl)pyrazine
SMILESCC(C)(C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2/c1-8(2,3)6-4-14-7(5-13-6)9(10,11)12/h4-5H,1-3H3
InChIKeyUYZATGCMGXLIOB-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.79
Rot. Bonds

About 2-tert-butyl-5-(trifluoromethyl)pyrazine

2-tert-butyl-5-(trifluoromethyl)pyrazine (PubChem CID 58088206) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-tert-butyl-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-(trifluoromethyl)pyrazine
PubChem CID58088206
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name2-tert-butyl-5-(trifluoromethyl)pyrazine
SMILESCC(C)(C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2/c1-8(2,3)6-4-14-7(5-13-6)9(10,11)12/h4-5H,1-3H3
InChIKeyUYZATGCMGXLIOB-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-tert-butyl-5-(trifluoromethyl)pyrazine (CID 58088206) is 2-tert-butyl-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-tert-butyl-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-tert-butyl-5-(trifluoromethyl)pyrazine is CC(C)(C)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-tert-butyl-5-(trifluoromethyl)pyrazine?
The InChIKey is UYZATGCMGXLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-8(2,3)6-4-14-7(5-13-6)9(10,11)12/h4-5H,1-3H3.
What are the key properties of 2-tert-butyl-5-(trifluoromethyl)pyrazine?
2-tert-butyl-5-(trifluoromethyl)pyrazine has a molecular weight of 204.19 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 58088206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).