2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran

C23H13F3O — CID 138393025

IUPAC2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran
SMILESFC(F)(F)c1ccc(C#Cc2c(-c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C23H13F3O/c24-23(25,26)18-13-10-16(11-14-18)12-15-20-19-8-4-5-9-21(19)27-22(20)17-6-2-1-3-7-17/h1-11,13-14H
InChIKeyXGQCWIXZDFDIJG-UHFFFAOYSA-N
MW362.35 g/mol
LogP6.52
Rot. Bonds1

About 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran

2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran (PubChem CID 138393025) has the molecular formula C23H13F3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran.

Molecular Properties

Compound Name2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran
PubChem CID138393025
Molecular FormulaC23H13F3O
Molecular Weight362.35 g/mol
Exact Mass362.09
IUPAC Name2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran
SMILESFC(F)(F)c1ccc(C#Cc2c(-c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C23H13F3O/c24-23(25,26)18-13-10-16(11-14-18)12-15-20-19-8-4-5-9-21(19)27-22(20)17-6-2-1-3-7-17/h1-11,13-14H
InChIKeyXGQCWIXZDFDIJG-UHFFFAOYSA-N
XLogP6.52
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-10-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene
CID 58730020
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
CID 11961545
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]naphthalene
CID 59146812
2-(2-phenylethynyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 45142353
3-(4-methylphenyl)-4-[4-[2-[4-[3-oxo-2,4-diphenyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]ethynyl]phenyl]-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 123533466
2-phenyl-1-benzofuran-3-amine
CID 54532541
2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile
CID 155668194
3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran
CID 15854141
3-[2-(3,5-difluorophenyl)ethynyl]-6-hydroxy-2-phenyl-1-benzofuran-5-carboxylic acid
CID 70981726
7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol
CID 132942174

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran?
The IUPAC name of 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran (CID 138393025) is 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran.
What is the SMILES notation for 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran?
The canonical SMILES for 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran is FC(F)(F)c1ccc(C#Cc2c(-c3ccccc3)oc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran?
The InChIKey is XGQCWIXZDFDIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3O/c24-23(25,26)18-13-10-16(11-14-18)12-15-20-19-8-4-5-9-21(19)27-22(20)17-6-2-1-3-7-17/h1-11,13-14H.
What are the key properties of 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran?
2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran has a molecular weight of 362.35 g/mol, XLogP of 6.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran is sourced from PubChem (CID 138393025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).