2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran

C8H8Br2O — CID 150003622

IUPAC2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran
SMILESBrC1OC2=C(CCC=C2)C1Br
InChIInChI=1S/C8H8Br2O/c9-7-5-3-1-2-4-6(5)11-8(7)10/h2,4,7-8H,1,3H2
InChIKeyDBUXDSGSKSPPIB-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.11
Rot. Bonds

About 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran

2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran (PubChem CID 150003622) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran
PubChem CID150003622
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran
SMILESBrC1OC2=C(CCC=C2)C1Br
InChIInChI=1S/C8H8Br2O/c9-7-5-3-1-2-4-6(5)11-8(7)10/h2,4,7-8H,1,3H2
InChIKeyDBUXDSGSKSPPIB-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.11
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-2,3,4,5-tetrahydro-1-benzofuran?
The IUPAC name of 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran (CID 150003622) is 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran.
What is the SMILES notation for 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran?
The canonical SMILES for 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran is BrC1OC2=C(CCC=C2)C1Br.
What is the InChIKey of 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran?
The InChIKey is DBUXDSGSKSPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c9-7-5-3-1-2-4-6(5)11-8(7)10/h2,4,7-8H,1,3H2.
What are the key properties of 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran?
2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran has a molecular weight of 279.96 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2,3,4,5-tetrahydro-1-benzofuran is sourced from PubChem (CID 150003622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).