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

C15H11Br2FO — CID 55144632

IUPAC5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESFc1cc(Br)ccc1C(Br)c1ccc2c(c1)COC2
InChIInChI=1S/C15H11Br2FO/c16-12-3-4-13(14(18)6-12)15(17)9-1-2-10-7-19-8-11(10)5-9/h1-6,15H,7-8H2
InChIKeyXNBJPHNXWNWPNP-UHFFFAOYSA-N
MW386.06 g/mol
LogP5.10
Rot. Bonds2

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

5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 55144632) has the molecular formula C15H11Br2FO and a molecular weight of 386.06 g/mol. Its IUPAC name is 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID55144632
Molecular FormulaC15H11Br2FO
Molecular Weight386.06 g/mol
Exact Mass383.92
IUPAC Name5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESFc1cc(Br)ccc1C(Br)c1ccc2c(c1)COC2
InChIInChI=1S/C15H11Br2FO/c16-12-3-4-13(14(18)6-12)15(17)9-1-2-10-7-19-8-11(10)5-9/h1-6,15H,7-8H2
InChIKeyXNBJPHNXWNWPNP-UHFFFAOYSA-N
XLogP5.10
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 ≤ 55.10
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

5-[bromo-(5-bromo-2-methylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 65311708
4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 107991858
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
5-[bromo-(2-bromo-5-iodophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 114026295
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438
5-[bromo-(2,5-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144437
1-(2,4-dibromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107950588
5-[bromo-(2,3-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63021319
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61097913
5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
CID 55143480
5-[(5-bromo-2-iodophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
CID 114033434

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran (CID 55144632) is 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran is Fc1cc(Br)ccc1C(Br)c1ccc2c(c1)COC2.
What is the InChIKey of 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is XNBJPHNXWNWPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO/c16-12-3-4-13(14(18)6-12)15(17)9-1-2-10-7-19-8-11(10)5-9/h1-6,15H,7-8H2.
What are the key properties of 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran?
5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran has a molecular weight of 386.06 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-bromo-2-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 55144632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).