5-bromo-3-(trifluoromethyl)-1-benzofuran

C9H4BrF3O — CID 71669158

IUPAC5-bromo-3-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1coc2ccc(Br)cc12
InChIInChI=1S/C9H4BrF3O/c10-5-1-2-8-6(3-5)7(4-14-8)9(11,12)13/h1-4H
InChIKeyQIIPMJZYFOXQEX-UHFFFAOYSA-N
MW265.03 g/mol
LogP4.21
Rot. Bonds

About 5-bromo-3-(trifluoromethyl)-1-benzofuran

5-bromo-3-(trifluoromethyl)-1-benzofuran (PubChem CID 71669158) has the molecular formula C9H4BrF3O and a molecular weight of 265.03 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethyl)-1-benzofuran
PubChem CID71669158
Molecular FormulaC9H4BrF3O
Molecular Weight265.03 g/mol
Exact Mass263.94
IUPAC Name5-bromo-3-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1coc2ccc(Br)cc12
InChIInChI=1S/C9H4BrF3O/c10-5-1-2-8-6(3-5)7(4-14-8)9(11,12)13/h1-4H
InChIKeyQIIPMJZYFOXQEX-UHFFFAOYSA-N
XLogP4.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 5-bromo-3-(trifluoromethyl)-1-benzofuran (CID 71669158) is 5-bromo-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-3-(trifluoromethyl)-1-benzofuran is FC(F)(F)c1coc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is QIIPMJZYFOXQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3O/c10-5-1-2-8-6(3-5)7(4-14-8)9(11,12)13/h1-4H.
What are the key properties of 5-bromo-3-(trifluoromethyl)-1-benzofuran?
5-bromo-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 265.03 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 71669158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).