ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate

C9H10Br2O3 — CID 141405820

IUPACethyl 4,5-dibromo-3-ethylfuran-2-carboxylate
SMILESCCOC(=O)c1oc(Br)c(Br)c1CC
InChIInChI=1S/C9H10Br2O3/c1-3-5-6(10)8(11)14-7(5)9(12)13-4-2/h3-4H2,1-2H3
InChIKeyXVWAZGYRPORVMJ-UHFFFAOYSA-N
MW325.98 g/mol
LogP3.54
Rot. Bonds3

About ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate

ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate (PubChem CID 141405820) has the molecular formula C9H10Br2O3 and a molecular weight of 325.98 g/mol. Its IUPAC name is ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dibromo-3-ethylfuran-2-carboxylate
PubChem CID141405820
Molecular FormulaC9H10Br2O3
Molecular Weight325.98 g/mol
Exact Mass323.90
IUPAC Nameethyl 4,5-dibromo-3-ethylfuran-2-carboxylate
SMILESCCOC(=O)c1oc(Br)c(Br)c1CC
InChIInChI=1S/C9H10Br2O3/c1-3-5-6(10)8(11)14-7(5)9(12)13-4-2/h3-4H2,1-2H3
InChIKeyXVWAZGYRPORVMJ-UHFFFAOYSA-N
XLogP3.54
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate?
The IUPAC name of ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate (CID 141405820) is ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate.
What is the SMILES notation for ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate?
The canonical SMILES for ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate is CCOC(=O)c1oc(Br)c(Br)c1CC.
What is the InChIKey of ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate?
The InChIKey is XVWAZGYRPORVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O3/c1-3-5-6(10)8(11)14-7(5)9(12)13-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate?
ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate has a molecular weight of 325.98 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate is sourced from PubChem (CID 141405820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).