2-bromo-4,6-difluoro-1-benzofuran-3-one

C8H3BrF2O2 — CID 11322628

IUPAC2-bromo-4,6-difluoro-1-benzofuran-3-one
SMILESO=C1c2c(F)cc(F)cc2OC1Br
InChIInChI=1S/C8H3BrF2O2/c9-8-7(12)6-4(11)1-3(10)2-5(6)13-8/h1-2,8H
InChIKeyIFVWSXRWAJGHCE-UHFFFAOYSA-N
MW249.01 g/mol
LogP2.26
Rot. Bonds

About 2-bromo-4,6-difluoro-1-benzofuran-3-one

2-bromo-4,6-difluoro-1-benzofuran-3-one (PubChem CID 11322628) has the molecular formula C8H3BrF2O2 and a molecular weight of 249.01 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-1-benzofuran-3-one.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-1-benzofuran-3-one
PubChem CID11322628
Molecular FormulaC8H3BrF2O2
Molecular Weight249.01 g/mol
Exact Mass247.93
IUPAC Name2-bromo-4,6-difluoro-1-benzofuran-3-one
SMILESO=C1c2c(F)cc(F)cc2OC1Br
InChIInChI=1S/C8H3BrF2O2/c9-8-7(12)6-4(11)1-3(10)2-5(6)13-8/h1-2,8H
InChIKeyIFVWSXRWAJGHCE-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.01
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-4,6-difluoro-1-benzofuran-3-one?
The IUPAC name of 2-bromo-4,6-difluoro-1-benzofuran-3-one (CID 11322628) is 2-bromo-4,6-difluoro-1-benzofuran-3-one.
What is the SMILES notation for 2-bromo-4,6-difluoro-1-benzofuran-3-one?
The canonical SMILES for 2-bromo-4,6-difluoro-1-benzofuran-3-one is O=C1c2c(F)cc(F)cc2OC1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-1-benzofuran-3-one?
The InChIKey is IFVWSXRWAJGHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2O2/c9-8-7(12)6-4(11)1-3(10)2-5(6)13-8/h1-2,8H.
What are the key properties of 2-bromo-4,6-difluoro-1-benzofuran-3-one?
2-bromo-4,6-difluoro-1-benzofuran-3-one has a molecular weight of 249.01 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-1-benzofuran-3-one is sourced from PubChem (CID 11322628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).