5-bromo-4,6-difluoro-1-benzofuran

C8H3BrF2O — CID 84795785

IUPAC5-bromo-4,6-difluoro-1-benzofuran
SMILESFc1cc2occc2c(F)c1Br
InChIInChI=1S/C8H3BrF2O/c9-7-5(10)3-6-4(8(7)11)1-2-12-6/h1-3H
InChIKeyJPZHCDBOZSWISV-UHFFFAOYSA-N
MW233.01 g/mol
LogP3.47
Rot. Bonds

About 5-bromo-4,6-difluoro-1-benzofuran

5-bromo-4,6-difluoro-1-benzofuran (PubChem CID 84795785) has the molecular formula C8H3BrF2O and a molecular weight of 233.01 g/mol. Its IUPAC name is 5-bromo-4,6-difluoro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-4,6-difluoro-1-benzofuran
PubChem CID84795785
Molecular FormulaC8H3BrF2O
Molecular Weight233.01 g/mol
Exact Mass231.93
IUPAC Name5-bromo-4,6-difluoro-1-benzofuran
SMILESFc1cc2occc2c(F)c1Br
InChIInChI=1S/C8H3BrF2O/c9-7-5(10)3-6-4(8(7)11)1-2-12-6/h1-3H
InChIKeyJPZHCDBOZSWISV-UHFFFAOYSA-N
XLogP3.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-difluoro-1-benzofuran?
The IUPAC name of 5-bromo-4,6-difluoro-1-benzofuran (CID 84795785) is 5-bromo-4,6-difluoro-1-benzofuran.
What is the SMILES notation for 5-bromo-4,6-difluoro-1-benzofuran?
The canonical SMILES for 5-bromo-4,6-difluoro-1-benzofuran is Fc1cc2occc2c(F)c1Br.
What is the InChIKey of 5-bromo-4,6-difluoro-1-benzofuran?
The InChIKey is JPZHCDBOZSWISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2O/c9-7-5(10)3-6-4(8(7)11)1-2-12-6/h1-3H.
What are the key properties of 5-bromo-4,6-difluoro-1-benzofuran?
5-bromo-4,6-difluoro-1-benzofuran has a molecular weight of 233.01 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-difluoro-1-benzofuran is sourced from PubChem (CID 84795785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).