2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid

C11H8BrFO3 — CID 97036614

IUPAC2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid
SMILESCc1cc2oc(Br)c(CC(=O)O)c2cc1F
InChIInChI=1S/C11H8BrFO3/c1-5-2-9-6(3-8(5)13)7(4-10(14)15)11(12)16-9/h2-3H,4H2,1H3,(H,14,15)
InChIKeyUMDFXKPUFFZJGV-UHFFFAOYSA-N
MW287.08 g/mol
LogP3.27
Rot. Bonds2

About 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid

2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid (PubChem CID 97036614) has the molecular formula C11H8BrFO3 and a molecular weight of 287.08 g/mol. Its IUPAC name is 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid
PubChem CID97036614
Molecular FormulaC11H8BrFO3
Molecular Weight287.08 g/mol
Exact Mass285.96
IUPAC Name2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid
SMILESCc1cc2oc(Br)c(CC(=O)O)c2cc1F
InChIInChI=1S/C11H8BrFO3/c1-5-2-9-6(3-8(5)13)7(4-10(14)15)11(12)16-9/h2-3H,4H2,1H3,(H,14,15)
InChIKeyUMDFXKPUFFZJGV-UHFFFAOYSA-N
XLogP3.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid (CID 97036614) is 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid is Cc1cc2oc(Br)c(CC(=O)O)c2cc1F.
What is the InChIKey of 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is UMDFXKPUFFZJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO3/c1-5-2-9-6(3-8(5)13)7(4-10(14)15)11(12)16-9/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid?
2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 287.08 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 97036614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).