ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate

C11H8BrFO3 — CID 70977027

IUPACethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Br)cc(F)c2o1
InChIInChI=1S/C11H8BrFO3/c1-2-15-11(14)9-4-6-3-7(12)5-8(13)10(6)16-9/h3-5H,2H2,1H3
InChIKeyICIVCGROOXFLBI-UHFFFAOYSA-N
MW287.08 g/mol
LogP3.51
Rot. Bonds2

About ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate

ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate (PubChem CID 70977027) has the molecular formula C11H8BrFO3 and a molecular weight of 287.08 g/mol. Its IUPAC name is ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate
PubChem CID70977027
Molecular FormulaC11H8BrFO3
Molecular Weight287.08 g/mol
Exact Mass285.96
IUPAC Nameethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Br)cc(F)c2o1
InChIInChI=1S/C11H8BrFO3/c1-2-15-11(14)9-4-6-3-7(12)5-8(13)10(6)16-9/h3-5H,2H2,1H3
InChIKeyICIVCGROOXFLBI-UHFFFAOYSA-N
XLogP3.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-bromo-7-methyl-1-benzofuran-2-carboxylate
CID 131285670
ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate
CID 134180527
ethyl 5-(4-bromo-2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619311
ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842772
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethyl 2-(4-bromo-2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 142682771
ethyl 4-bromo-5-(4-fluorophenyl)furan-2-carboxylate
CID 58064766
ethyl 6-chloro-1-oxoisochromene-3-carboxylate
CID 165441479
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
CID 628562
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
ethyl 8-bromo-6-chloro-4-oxochromene-2-carboxylate
CID 22142188

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate (CID 70977027) is ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cc(Br)cc(F)c2o1.
What is the InChIKey of ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate?
The InChIKey is ICIVCGROOXFLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO3/c1-2-15-11(14)9-4-6-3-7(12)5-8(13)10(6)16-9/h3-5H,2H2,1H3.
What are the key properties of ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate?
ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate has a molecular weight of 287.08 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-7-fluoro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 70977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).