4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine

C18H20F3NO2 — CID 22596023

IUPAC4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine
SMILESCCOC(c1cc(C)nc(Oc2ccccc2C)c1C)C(F)(F)F
InChIInChI=1S/C18H20F3NO2/c1-5-23-16(18(19,20)21)14-10-12(3)22-17(13(14)4)24-15-9-7-6-8-11(15)2/h6-10,16H,5H2,1-4H3
InChIKeyYDNYTBRUBUZKRH-UHFFFAOYSA-N
MW339.36 g/mol
LogP5.44
Rot. Bonds5

About 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine

4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine (PubChem CID 22596023) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine.

Molecular Properties

Compound Name4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine
PubChem CID22596023
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine
SMILESCCOC(c1cc(C)nc(Oc2ccccc2C)c1C)C(F)(F)F
InChIInChI=1S/C18H20F3NO2/c1-5-23-16(18(19,20)21)14-10-12(3)22-17(13(14)4)24-15-9-7-6-8-11(15)2/h6-10,16H,5H2,1-4H3
InChIKeyYDNYTBRUBUZKRH-UHFFFAOYSA-N
XLogP5.44
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine?
The IUPAC name of 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine (CID 22596023) is 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine.
What is the SMILES notation for 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine?
The canonical SMILES for 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine is CCOC(c1cc(C)nc(Oc2ccccc2C)c1C)C(F)(F)F.
What is the InChIKey of 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine?
The InChIKey is YDNYTBRUBUZKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-5-23-16(18(19,20)21)14-10-12(3)22-17(13(14)4)24-15-9-7-6-8-11(15)2/h6-10,16H,5H2,1-4H3.
What are the key properties of 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine?
4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine has a molecular weight of 339.36 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxy-2,2,2-trifluoroethyl)-3,6-dimethyl-2-(2-methylphenoxy)pyridine is sourced from PubChem (CID 22596023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).