5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid

C12H8BrFO3 — CID 62379026

IUPAC5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2c(F)cc(Br)cc2c1C1CC1
InChIInChI=1S/C12H8BrFO3/c13-6-3-7-9(5-1-2-5)11(12(15)16)17-10(7)8(14)4-6/h3-5H,1-2H2,(H,15,16)
InChIKeySEJWCIGCEYMPPX-UHFFFAOYSA-N
MW299.10 g/mol
LogP3.91
Rot. Bonds2

About 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid

5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid (PubChem CID 62379026) has the molecular formula C12H8BrFO3 and a molecular weight of 299.10 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid
PubChem CID62379026
Molecular FormulaC12H8BrFO3
Molecular Weight299.10 g/mol
Exact Mass297.96
IUPAC Name5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2c(F)cc(Br)cc2c1C1CC1
InChIInChI=1S/C12H8BrFO3/c13-6-3-7-9(5-1-2-5)11(12(15)16)17-10(7)8(14)4-6/h3-5H,1-2H2,(H,15,16)
InChIKeySEJWCIGCEYMPPX-UHFFFAOYSA-N
XLogP3.91
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid (CID 62379026) is 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid is O=C(O)c1oc2c(F)cc(Br)cc2c1C1CC1.
What is the InChIKey of 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid?
The InChIKey is SEJWCIGCEYMPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO3/c13-6-3-7-9(5-1-2-5)11(12(15)16)17-10(7)8(14)4-6/h3-5H,1-2H2,(H,15,16).
What are the key properties of 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid?
5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid has a molecular weight of 299.10 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 62379026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).