2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine

C17H18F3NO — CID 71085503

IUPAC2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine
SMILESCc1ccc(C(C)(C)C)cc1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3NO/c1-11-8-9-12(16(2,3)4)10-13(11)22-15-7-5-6-14(21-15)17(18,19)20/h5-10H,1-4H3
InChIKeyFBECLJGDHFOBNM-UHFFFAOYSA-N
MW309.33 g/mol
LogP5.50
Rot. Bonds2

About 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine

2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine (PubChem CID 71085503) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine
PubChem CID71085503
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine
SMILESCc1ccc(C(C)(C)C)cc1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3NO/c1-11-8-9-12(16(2,3)4)10-13(11)22-15-7-5-6-14(21-15)17(18,19)20/h5-10H,1-4H3
InChIKeyFBECLJGDHFOBNM-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.33
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine (CID 71085503) is 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine is Cc1ccc(C(C)(C)C)cc1Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is FBECLJGDHFOBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-11-8-9-12(16(2,3)4)10-13(11)22-15-7-5-6-14(21-15)17(18,19)20/h5-10H,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine?
2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 309.33 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 71085503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).