5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran

C15H11Br2FO — CID 104543622

IUPAC5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(C(Br)c2cc(Br)cc3c2OCC3)cc1
InChIInChI=1S/C15H11Br2FO/c16-11-7-10-5-6-19-15(10)13(8-11)14(17)9-1-3-12(18)4-2-9/h1-4,7-8,14H,5-6H2
InChIKeyWORBCFKXARFZCO-UHFFFAOYSA-N
MW386.06 g/mol
LogP5.01
Rot. Bonds2

About 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543622) has the molecular formula C15H11Br2FO and a molecular weight of 386.06 g/mol. Its IUPAC name is 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543622
Molecular FormulaC15H11Br2FO
Molecular Weight386.06 g/mol
Exact Mass383.92
IUPAC Name5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(C(Br)c2cc(Br)cc3c2OCC3)cc1
InChIInChI=1S/C15H11Br2FO/c16-11-7-10-5-6-19-15(10)13(8-11)14(17)9-1-3-12(18)4-2-9/h1-4,7-8,14H,5-6H2
InChIKeyWORBCFKXARFZCO-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.06
LogP ≤ 55.01
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-2,3-dihydro-1-benzofuran-7-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 104541674
5-bromo-7-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543484
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543561
5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 113425206
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 104541765
5-bromo-7-[bromo-(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543607
5-bromo-7-[bromo-(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543596
5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 107992186
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
5-bromo-7-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543584
7-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104543989
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-bromo-5-fluorophenyl)-N-methylmethanamine
CID 104541688

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543622) is 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is Fc1ccc(C(Br)c2cc(Br)cc3c2OCC3)cc1.
What is the InChIKey of 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is WORBCFKXARFZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO/c16-11-7-10-5-6-19-15(10)13(8-11)14(17)9-1-3-12(18)4-2-9/h1-4,7-8,14H,5-6H2.
What are the key properties of 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 386.06 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).