2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran

C15H8ClF3O — CID 71419985

IUPAC2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1c(-c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C15H8ClF3O/c16-10-7-5-9(6-8-10)14-13(15(17,18)19)11-3-1-2-4-12(11)20-14/h1-8H
InChIKeyNBSXXJLGSXRZMY-UHFFFAOYSA-N
MW296.68 g/mol
LogP5.77
Rot. Bonds1

About 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran

2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran (PubChem CID 71419985) has the molecular formula C15H8ClF3O and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran
PubChem CID71419985
Molecular FormulaC15H8ClF3O
Molecular Weight296.68 g/mol
Exact Mass296.02
IUPAC Name2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1c(-c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C15H8ClF3O/c16-10-7-5-9(6-8-10)14-13(15(17,18)19)11-3-1-2-4-12(11)20-14/h1-8H
InChIKeyNBSXXJLGSXRZMY-UHFFFAOYSA-N
XLogP5.77
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.68
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran (CID 71419985) is 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran is FC(F)(F)c1c(-c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is NBSXXJLGSXRZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3O/c16-10-7-5-9(6-8-10)14-13(15(17,18)19)11-3-1-2-4-12(11)20-14/h1-8H.
What are the key properties of 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran?
2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 296.68 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 71419985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).