3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid

C11H10BrFO3 — CID 143799329

IUPAC3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESO=C(O)CCc1cc2c(c(F)c1Br)OCC2
InChIInChI=1S/C11H10BrFO3/c12-9-6(1-2-8(14)15)5-7-3-4-16-11(7)10(9)13/h5H,1-4H2,(H,14,15)
InChIKeyWGOXNKGBSNCVMF-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.54
Rot. Bonds3

About 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid

3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid (PubChem CID 143799329) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
PubChem CID143799329
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESO=C(O)CCc1cc2c(c(F)c1Br)OCC2
InChIInChI=1S/C11H10BrFO3/c12-9-6(1-2-8(14)15)5-7-3-4-16-11(7)10(9)13/h5H,1-4H2,(H,14,15)
InChIKeyWGOXNKGBSNCVMF-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)propanoic acid
CID 117469937
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
3-(5-bromo-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117487772
3-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117490209
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
3-(7-tert-butyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 53312471
3-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)sulfanyl]propanoic acid
CID 91253018
4-amino-4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)butanoic acid
CID 104541970
5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylpentanoic acid
CID 104541947
6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran
CID 171829628
3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 84701892
3-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117484741

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The IUPAC name of 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid (CID 143799329) is 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid.
What is the SMILES notation for 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The canonical SMILES for 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid is O=C(O)CCc1cc2c(c(F)c1Br)OCC2.
What is the InChIKey of 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The InChIKey is WGOXNKGBSNCVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/c12-9-6(1-2-8(14)15)5-7-3-4-16-11(7)10(9)13/h5H,1-4H2,(H,14,15).
What are the key properties of 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid has a molecular weight of 289.10 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-7-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid is sourced from PubChem (CID 143799329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).