2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine

C12H8F4N2O — CID 135293576

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine
SMILESCOc1cncc(-c2ccc(C(F)(F)F)c(F)c2)n1
InChIInChI=1S/C12H8F4N2O/c1-19-11-6-17-5-10(18-11)7-2-3-8(9(13)4-7)12(14,15)16/h2-6H,1H3
InChIKeyFJPUCPCKPBWTPK-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.31
Rot. Bonds2

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine

2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine (PubChem CID 135293576) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine
PubChem CID135293576
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine
SMILESCOc1cncc(-c2ccc(C(F)(F)F)c(F)c2)n1
InChIInChI=1S/C12H8F4N2O/c1-19-11-6-17-5-10(18-11)7-2-3-8(9(13)4-7)12(14,15)16/h2-6H,1H3
InChIKeyFJPUCPCKPBWTPK-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine (CID 135293576) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine is COc1cncc(-c2ccc(C(F)(F)F)c(F)c2)n1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine?
The InChIKey is FJPUCPCKPBWTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c1-19-11-6-17-5-10(18-11)7-2-3-8(9(13)4-7)12(14,15)16/h2-6H,1H3.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine has a molecular weight of 272.20 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine is sourced from PubChem (CID 135293576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).