2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine

C18H12F3NO — CID 894657

IUPAC2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)15-8-11-17(22-12-15)23-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H
InChIKeyZEXPJVKNTIFJFJ-UHFFFAOYSA-N
MW315.29 g/mol
LogP5.56
Rot. Bonds3

About 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine

2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 894657) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID894657
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)15-8-11-17(22-12-15)23-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H
InChIKeyZEXPJVKNTIFJFJ-UHFFFAOYSA-N
XLogP5.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.29
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine (CID 894657) is 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(Oc2ccc(-c3ccccc3)cc2)nc1.
What is the InChIKey of 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is ZEXPJVKNTIFJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c19-18(20,21)15-8-11-17(22-12-15)23-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine?
2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 315.29 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 894657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).