2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine

C12H9F3N2O — CID 169108451

IUPAC2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESCc1nccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O/c1-8-11(17-7-6-16-8)18-10-4-2-9(3-5-10)12(13,14)15/h2-7H,1H3
InChIKeySEXWRAPFNRJDHN-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.60
Rot. Bonds2

About 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine

2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine (PubChem CID 169108451) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine
PubChem CID169108451
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESCc1nccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O/c1-8-11(17-7-6-16-8)18-10-4-2-9(3-5-10)12(13,14)15/h2-7H,1H3
InChIKeySEXWRAPFNRJDHN-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine (CID 169108451) is 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine.
What is the SMILES notation for 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The canonical SMILES for 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine is Cc1nccnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The InChIKey is SEXWRAPFNRJDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-8-11(17-7-6-16-8)18-10-4-2-9(3-5-10)12(13,14)15/h2-7H,1H3.
What are the key properties of 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine?
2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine has a molecular weight of 254.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine is sourced from PubChem (CID 169108451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).