2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole

C17H9ClF3NO — CID 68961397

IUPAC2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole
SMILESFC(F)(F)C1=c2cc(Cl)ccc2=NC1c1cc2ccccc2o1
InChIInChI=1S/C17H9ClF3NO/c18-10-5-6-12-11(8-10)15(17(19,20)21)16(22-12)14-7-9-3-1-2-4-13(9)23-14/h1-8,16H
InChIKeyXGAGTXSXWFQAQJ-UHFFFAOYSA-N
MW335.71 g/mol
LogP4.17
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole

2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole (PubChem CID 68961397) has the molecular formula C17H9ClF3NO and a molecular weight of 335.71 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole
PubChem CID68961397
Molecular FormulaC17H9ClF3NO
Molecular Weight335.71 g/mol
Exact Mass335.03
IUPAC Name2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole
SMILESFC(F)(F)C1=c2cc(Cl)ccc2=NC1c1cc2ccccc2o1
InChIInChI=1S/C17H9ClF3NO/c18-10-5-6-12-11(8-10)15(17(19,20)21)16(22-12)14-7-9-3-1-2-4-13(9)23-14/h1-8,16H
InChIKeyXGAGTXSXWFQAQJ-UHFFFAOYSA-N
XLogP4.17
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole (CID 68961397) is 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole is FC(F)(F)C1=c2cc(Cl)ccc2=NC1c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole?
The InChIKey is XGAGTXSXWFQAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO/c18-10-5-6-12-11(8-10)15(17(19,20)21)16(22-12)14-7-9-3-1-2-4-13(9)23-14/h1-8,16H.
What are the key properties of 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole?
2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole has a molecular weight of 335.71 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-chloro-3-(trifluoromethyl)-2H-indole is sourced from PubChem (CID 68961397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).