3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine

C12H16F3NO — CID 146488321

IUPAC3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine
SMILESCCOc1ccc(C(C)(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C12H16F3NO/c1-5-17-9-7-6-8(11(2,3)4)10(16-9)12(13,14)15/h6-7H,5H2,1-4H3
InChIKeyAOGVUUUCKAWARO-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.80
Rot. Bonds2

About 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine

3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine (PubChem CID 146488321) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine
PubChem CID146488321
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine
SMILESCCOc1ccc(C(C)(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C12H16F3NO/c1-5-17-9-7-6-8(11(2,3)4)10(16-9)12(13,14)15/h6-7H,5H2,1-4H3
InChIKeyAOGVUUUCKAWARO-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine (CID 146488321) is 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine is CCOc1ccc(C(C)(C)C)c(C(F)(F)F)n1.
What is the InChIKey of 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine?
The InChIKey is AOGVUUUCKAWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-5-17-9-7-6-8(11(2,3)4)10(16-9)12(13,14)15/h6-7H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine?
3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine has a molecular weight of 247.26 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethoxy-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 146488321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).