2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine

C20H12F3NO — CID 22508332

IUPAC2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccc3oc(-c4ccccc4)cc3c2)nc1
InChIInChI=1S/C20H12F3NO/c21-20(22,23)16-7-8-17(24-12-16)14-6-9-18-15(10-14)11-19(25-18)13-4-2-1-3-5-13/h1-12H
InChIKeyWVDQOZOBRXNCDA-UHFFFAOYSA-N
MW339.32 g/mol
LogP6.18
Rot. Bonds2

About 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine

2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine (PubChem CID 22508332) has the molecular formula C20H12F3NO and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine
PubChem CID22508332
Molecular FormulaC20H12F3NO
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccc3oc(-c4ccccc4)cc3c2)nc1
InChIInChI=1S/C20H12F3NO/c21-20(22,23)16-7-8-17(24-12-16)14-6-9-18-15(10-14)11-19(25-18)13-4-2-1-3-5-13/h1-12H
InChIKeyWVDQOZOBRXNCDA-UHFFFAOYSA-N
XLogP6.18
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine (CID 22508332) is 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2ccc3oc(-c4ccccc4)cc3c2)nc1.
What is the InChIKey of 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is WVDQOZOBRXNCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO/c21-20(22,23)16-7-8-17(24-12-16)14-6-9-18-15(10-14)11-19(25-18)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine?
2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 339.32 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1-benzofuran-5-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 22508332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).