2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine

C13H11F3N2O — CID 176690873

IUPAC2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine
SMILESCc1cc(C)cc(Oc2cnc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H11F3N2O/c1-8-3-9(2)5-10(4-8)19-12-7-17-11(6-18-12)13(14,15)16/h3-7H,1-2H3
InChIKeyPQCBRYWSLGRETH-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.90
Rot. Bonds2

About 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine

2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine (PubChem CID 176690873) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine
PubChem CID176690873
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine
SMILESCc1cc(C)cc(Oc2cnc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H11F3N2O/c1-8-3-9(2)5-10(4-8)19-12-7-17-11(6-18-12)13(14,15)16/h3-7H,1-2H3
InChIKeyPQCBRYWSLGRETH-UHFFFAOYSA-N
XLogP3.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Isobutyl-3-methyl-2-phenoxypyrazine
CID 528137
3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
CID 2821109
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 2822034
{4-[(6-Methylpyrazin-2-yl)oxy]phenyl}methanol
CID 24229691
4-[(6-Methylpyrazin-2-yl)oxy]benzylamine
CID 24229693
3-Methyl-5-(3-methylpentyl)-2-phenoxypyrazine
CID 44327248
2-Phenoxy-5-propan-2-ylpyrazine
CID 44328027
2,5-Dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine
CID 56707534
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135983232
2-(2-phenoxyethoxy)-3-[(E)-2-phenylethenyl]pyrazine
CID 172436217
2-(4-(Isothiocyanatomethyl)phenoxy)-6-methylpyrazine
CID 118524782
5,6-Dihydro-[1]benzoxepino[2,3-b]pyrazine
CID 134206116

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine (CID 176690873) is 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine is Cc1cc(C)cc(Oc2cnc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine?
The InChIKey is PQCBRYWSLGRETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-3-9(2)5-10(4-8)19-12-7-17-11(6-18-12)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine?
2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine has a molecular weight of 268.24 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 176690873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).