2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine

C11H14F3NO2 — CID 23380552

IUPAC2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine
SMILESCCOCCOc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C11H14F3NO2/c1-3-16-4-5-17-10-7-9(11(12,13)14)6-8(2)15-10/h6-7H,3-5H2,1-2H3
InChIKeyXKMHKPZQQUDZEC-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine

2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine (PubChem CID 23380552) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine
PubChem CID23380552
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine
SMILESCCOCCOc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C11H14F3NO2/c1-3-16-4-5-17-10-7-9(11(12,13)14)6-8(2)15-10/h6-7H,3-5H2,1-2H3
InChIKeyXKMHKPZQQUDZEC-UHFFFAOYSA-N
XLogP2.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine (CID 23380552) is 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine is CCOCCOc1cc(C(F)(F)F)cc(C)n1.
What is the InChIKey of 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is XKMHKPZQQUDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-3-16-4-5-17-10-7-9(11(12,13)14)6-8(2)15-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine?
2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 249.23 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).