5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran

C11H8BrF3O — CID 122451887

IUPAC5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran
SMILESCCc1cc2cc(Br)cc(C(F)(F)F)c2o1
InChIInChI=1S/C11H8BrF3O/c1-2-8-4-6-3-7(12)5-9(10(6)16-8)11(13,14)15/h3-5H,2H2,1H3
InChIKeyVRHXUDGZJKFMFE-UHFFFAOYSA-N
MW293.08 g/mol
LogP4.78
Rot. Bonds1

About 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran

5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran (PubChem CID 122451887) has the molecular formula C11H8BrF3O and a molecular weight of 293.08 g/mol. Its IUPAC name is 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran
PubChem CID122451887
Molecular FormulaC11H8BrF3O
Molecular Weight293.08 g/mol
Exact Mass291.97
IUPAC Name5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran
SMILESCCc1cc2cc(Br)cc(C(F)(F)F)c2o1
InChIInChI=1S/C11H8BrF3O/c1-2-8-4-6-3-7(12)5-9(10(6)16-8)11(13,14)15/h3-5H,2H2,1H3
InChIKeyVRHXUDGZJKFMFE-UHFFFAOYSA-N
XLogP4.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran (CID 122451887) is 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran is CCc1cc2cc(Br)cc(C(F)(F)F)c2o1.
What is the InChIKey of 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran?
The InChIKey is VRHXUDGZJKFMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3O/c1-2-8-4-6-3-7(12)5-9(10(6)16-8)11(13,14)15/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran?
5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran has a molecular weight of 293.08 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-7-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 122451887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).