7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran

C16H10BrF3O — CID 67184522

IUPAC7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
SMILESFC(F)(F)c1cccc(Cc2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C16H10BrF3O/c17-14-6-2-4-11-9-13(21-15(11)14)8-10-3-1-5-12(7-10)16(18,19)20/h1-7,9H,8H2
InChIKeyDAARNXFWUOYKCD-UHFFFAOYSA-N
MW355.15 g/mol
LogP5.80
Rot. Bonds2

About 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran

7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran (PubChem CID 67184522) has the molecular formula C16H10BrF3O and a molecular weight of 355.15 g/mol. Its IUPAC name is 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran.

Molecular Properties

Compound Name7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
PubChem CID67184522
Molecular FormulaC16H10BrF3O
Molecular Weight355.15 g/mol
Exact Mass353.99
IUPAC Name7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
SMILESFC(F)(F)c1cccc(Cc2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C16H10BrF3O/c17-14-6-2-4-11-9-13(21-15(11)14)8-10-3-1-5-12(7-10)16(18,19)20/h1-7,9H,8H2
InChIKeyDAARNXFWUOYKCD-UHFFFAOYSA-N
XLogP5.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.15
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The IUPAC name of 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran (CID 67184522) is 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran.
What is the SMILES notation for 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The canonical SMILES for 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran is FC(F)(F)c1cccc(Cc2cc3cccc(Br)c3o2)c1.
What is the InChIKey of 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The InChIKey is DAARNXFWUOYKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3O/c17-14-6-2-4-11-9-13(21-15(11)14)8-10-3-1-5-12(7-10)16(18,19)20/h1-7,9H,8H2.
What are the key properties of 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran has a molecular weight of 355.15 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran is sourced from PubChem (CID 67184522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).