2-propan-2-yl-6-(trifluoromethyl)pyrazine

C8H9F3N2 — CID 58431360

IUPAC2-propan-2-yl-6-(trifluoromethyl)pyrazine
SMILESCC(C)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-5(2)6-3-12-4-7(13-6)8(9,10)11/h3-5H,1-2H3
InChIKeyZOKBQRJDAJQZRV-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.62
Rot. Bonds1

About 2-propan-2-yl-6-(trifluoromethyl)pyrazine

2-propan-2-yl-6-(trifluoromethyl)pyrazine (PubChem CID 58431360) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-propan-2-yl-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-propan-2-yl-6-(trifluoromethyl)pyrazine
PubChem CID58431360
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-propan-2-yl-6-(trifluoromethyl)pyrazine
SMILESCC(C)c1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2/c1-5(2)6-3-12-4-7(13-6)8(9,10)11/h3-5H,1-2H3
InChIKeyZOKBQRJDAJQZRV-UHFFFAOYSA-N
XLogP2.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(trifluoromethyl)pyrazine?
The IUPAC name of 2-propan-2-yl-6-(trifluoromethyl)pyrazine (CID 58431360) is 2-propan-2-yl-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-propan-2-yl-6-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-propan-2-yl-6-(trifluoromethyl)pyrazine is CC(C)c1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-propan-2-yl-6-(trifluoromethyl)pyrazine?
The InChIKey is ZOKBQRJDAJQZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-5(2)6-3-12-4-7(13-6)8(9,10)11/h3-5H,1-2H3.
What are the key properties of 2-propan-2-yl-6-(trifluoromethyl)pyrazine?
2-propan-2-yl-6-(trifluoromethyl)pyrazine has a molecular weight of 190.17 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 58431360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).