5-bromo-2-(1-bromoethyl)-1-benzofuran

C10H8Br2O — CID 43141444

IUPAC5-bromo-2-(1-bromoethyl)-1-benzofuran
SMILESCC(Br)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C10H8Br2O/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6H,1H3
InChIKeyQABLSERIKQGIPY-UHFFFAOYSA-N
MW303.98 g/mol
LogP4.65
Rot. Bonds1

About 5-bromo-2-(1-bromoethyl)-1-benzofuran

5-bromo-2-(1-bromoethyl)-1-benzofuran (PubChem CID 43141444) has the molecular formula C10H8Br2O and a molecular weight of 303.98 g/mol. Its IUPAC name is 5-bromo-2-(1-bromoethyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-(1-bromoethyl)-1-benzofuran
PubChem CID43141444
Molecular FormulaC10H8Br2O
Molecular Weight303.98 g/mol
Exact Mass301.89
IUPAC Name5-bromo-2-(1-bromoethyl)-1-benzofuran
SMILESCC(Br)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C10H8Br2O/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6H,1H3
InChIKeyQABLSERIKQGIPY-UHFFFAOYSA-N
XLogP4.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.98
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073
[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate
CID 11358037
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]but-3-yn-2-amine
CID 114414981
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
CID 43371885
4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
CID 43742780
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
2-[1-(5-bromo-1-benzofuran-2-yl)ethyl-methylamino]propanoic acid
CID 65059790
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
CID 65036942
Se-[[2-(1-bromoethyl)-1-benzofuran-5-yl]] carbamoselenoate
CID 174971934
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-bromoethyl)-1-benzofuran?
The IUPAC name of 5-bromo-2-(1-bromoethyl)-1-benzofuran (CID 43141444) is 5-bromo-2-(1-bromoethyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-2-(1-bromoethyl)-1-benzofuran?
The canonical SMILES for 5-bromo-2-(1-bromoethyl)-1-benzofuran is CC(Br)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-2-(1-bromoethyl)-1-benzofuran?
The InChIKey is QABLSERIKQGIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6H,1H3.
What are the key properties of 5-bromo-2-(1-bromoethyl)-1-benzofuran?
5-bromo-2-(1-bromoethyl)-1-benzofuran has a molecular weight of 303.98 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-bromoethyl)-1-benzofuran is sourced from PubChem (CID 43141444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).