2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine

C14H12F3NO2 — CID 894678

IUPAC2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine
SMILESCCOc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H12F3NO2/c1-2-19-11-4-3-5-12(8-11)20-13-7-6-10(9-18-13)14(15,16)17/h3-9H,2H2,1H3
InChIKeyQZRJAFAIFILXBC-UHFFFAOYSA-N
MW283.25 g/mol
LogP4.29
Rot. Bonds4

About 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine

2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 894678) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID894678
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine
SMILESCCOc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H12F3NO2/c1-2-19-11-4-3-5-12(8-11)20-13-7-6-10(9-18-13)14(15,16)17/h3-9H,2H2,1H3
InChIKeyQZRJAFAIFILXBC-UHFFFAOYSA-N
XLogP4.29
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine (CID 894678) is 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine is CCOc1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is QZRJAFAIFILXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-2-19-11-4-3-5-12(8-11)20-13-7-6-10(9-18-13)14(15,16)17/h3-9H,2H2,1H3.
What are the key properties of 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine?
2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 283.25 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 894678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).