2-tert-butyl-6-(2-fluorophenyl)pyrazine

C14H15FN2 — CID 135179551

IUPAC2-tert-butyl-6-(2-fluorophenyl)pyrazine
SMILESCC(C)(C)c1cncc(-c2ccccc2F)n1
InChIInChI=1S/C14H15FN2/c1-14(2,3)13-9-16-8-12(17-13)10-6-4-5-7-11(10)15/h4-9H,1-3H3
InChIKeyKMJAQZFRSHEJAI-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.58
Rot. Bonds1

About 2-tert-butyl-6-(2-fluorophenyl)pyrazine

2-tert-butyl-6-(2-fluorophenyl)pyrazine (PubChem CID 135179551) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-fluorophenyl)pyrazine
PubChem CID135179551
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-tert-butyl-6-(2-fluorophenyl)pyrazine
SMILESCC(C)(C)c1cncc(-c2ccccc2F)n1
InChIInChI=1S/C14H15FN2/c1-14(2,3)13-9-16-8-12(17-13)10-6-4-5-7-11(10)15/h4-9H,1-3H3
InChIKeyKMJAQZFRSHEJAI-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-fluorophenyl)pyrazine?
The IUPAC name of 2-tert-butyl-6-(2-fluorophenyl)pyrazine (CID 135179551) is 2-tert-butyl-6-(2-fluorophenyl)pyrazine.
What is the SMILES notation for 2-tert-butyl-6-(2-fluorophenyl)pyrazine?
The canonical SMILES for 2-tert-butyl-6-(2-fluorophenyl)pyrazine is CC(C)(C)c1cncc(-c2ccccc2F)n1.
What is the InChIKey of 2-tert-butyl-6-(2-fluorophenyl)pyrazine?
The InChIKey is KMJAQZFRSHEJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-14(2,3)13-9-16-8-12(17-13)10-6-4-5-7-11(10)15/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-6-(2-fluorophenyl)pyrazine?
2-tert-butyl-6-(2-fluorophenyl)pyrazine has a molecular weight of 230.29 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-fluorophenyl)pyrazine is sourced from PubChem (CID 135179551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).