2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine

C15H14F3NO2 — CID 894754

IUPAC2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
SMILESCC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H14F3NO2/c1-10(2)20-12-4-6-13(7-5-12)21-14-8-3-11(9-19-14)15(16,17)18/h3-10H,1-2H3
InChIKeyOBLPPJBXNUHXFG-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.68
Rot. Bonds4

About 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine

2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 894754) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID894754
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
SMILESCC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H14F3NO2/c1-10(2)20-12-4-6-13(7-5-12)21-14-8-3-11(9-19-14)15(16,17)18/h3-10H,1-2H3
InChIKeyOBLPPJBXNUHXFG-UHFFFAOYSA-N
XLogP4.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine (CID 894754) is 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine is CC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is OBLPPJBXNUHXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-10(2)20-12-4-6-13(7-5-12)21-14-8-3-11(9-19-14)15(16,17)18/h3-10H,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine?
2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 297.28 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 894754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).