4-bromo-6-fluoro-1-benzofuran

C8H4BrFO — CID 22495582

IUPAC4-bromo-6-fluoro-1-benzofuran
SMILESFc1cc(Br)c2ccoc2c1
InChIInChI=1S/C8H4BrFO/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4H
InChIKeyKETWIUONRSBTFF-UHFFFAOYSA-N
MW215.02 g/mol
LogP3.33
Rot. Bonds

About 4-bromo-6-fluoro-1-benzofuran

4-bromo-6-fluoro-1-benzofuran (PubChem CID 22495582) has the molecular formula C8H4BrFO and a molecular weight of 215.02 g/mol. Its IUPAC name is 4-bromo-6-fluoro-1-benzofuran.

Molecular Properties

Compound Name4-bromo-6-fluoro-1-benzofuran
PubChem CID22495582
Molecular FormulaC8H4BrFO
Molecular Weight215.02 g/mol
Exact Mass213.94
IUPAC Name4-bromo-6-fluoro-1-benzofuran
SMILESFc1cc(Br)c2ccoc2c1
InChIInChI=1S/C8H4BrFO/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4H
InChIKeyKETWIUONRSBTFF-UHFFFAOYSA-N
XLogP3.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.02
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-1-benzofuran?
The IUPAC name of 4-bromo-6-fluoro-1-benzofuran (CID 22495582) is 4-bromo-6-fluoro-1-benzofuran.
What is the SMILES notation for 4-bromo-6-fluoro-1-benzofuran?
The canonical SMILES for 4-bromo-6-fluoro-1-benzofuran is Fc1cc(Br)c2ccoc2c1.
What is the InChIKey of 4-bromo-6-fluoro-1-benzofuran?
The InChIKey is KETWIUONRSBTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFO/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4H.
What are the key properties of 4-bromo-6-fluoro-1-benzofuran?
4-bromo-6-fluoro-1-benzofuran has a molecular weight of 215.02 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-1-benzofuran is sourced from PubChem (CID 22495582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).