2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan

C10H11Br3O — CID 79323473

IUPAC2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan
SMILESCC(C)C(=Cc1cc(Br)c(Br)o1)CBr
InChIInChI=1S/C10H11Br3O/c1-6(2)7(5-11)3-8-4-9(12)10(13)14-8/h3-4,6H,5H2,1-2H3
InChIKeyJXIJDOWYHSNJGT-UHFFFAOYSA-N
MW386.91 g/mol
LogP5.24
Rot. Bonds3

About 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan

2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan (PubChem CID 79323473) has the molecular formula C10H11Br3O and a molecular weight of 386.91 g/mol. Its IUPAC name is 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan.

Molecular Properties

Compound Name2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan
PubChem CID79323473
Molecular FormulaC10H11Br3O
Molecular Weight386.91 g/mol
Exact Mass383.84
IUPAC Name2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan
SMILESCC(C)C(=Cc1cc(Br)c(Br)o1)CBr
InChIInChI=1S/C10H11Br3O/c1-6(2)7(5-11)3-8-4-9(12)10(13)14-8/h3-4,6H,5H2,1-2H3
InChIKeyJXIJDOWYHSNJGT-UHFFFAOYSA-N
XLogP5.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.91
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan?
The IUPAC name of 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan (CID 79323473) is 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan.
What is the SMILES notation for 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan?
The canonical SMILES for 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan is CC(C)C(=Cc1cc(Br)c(Br)o1)CBr.
What is the InChIKey of 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan?
The InChIKey is JXIJDOWYHSNJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br3O/c1-6(2)7(5-11)3-8-4-9(12)10(13)14-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan?
2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan has a molecular weight of 386.91 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[2-(bromomethyl)-3-methylbut-1-enyl]furan is sourced from PubChem (CID 79323473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).