5-bromo-2-fluoro-6-methyl-1-benzofuran

C9H6BrFO — CID 58487394

IUPAC5-bromo-2-fluoro-6-methyl-1-benzofuran
SMILESCc1cc2oc(F)cc2cc1Br
InChIInChI=1S/C9H6BrFO/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4H,1H3
InChIKeyQAAMSBNSBMRLPC-UHFFFAOYSA-N
MW229.05 g/mol
LogP3.64
Rot. Bonds

About 5-bromo-2-fluoro-6-methyl-1-benzofuran

5-bromo-2-fluoro-6-methyl-1-benzofuran (PubChem CID 58487394) has the molecular formula C9H6BrFO and a molecular weight of 229.05 g/mol. Its IUPAC name is 5-bromo-2-fluoro-6-methyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-fluoro-6-methyl-1-benzofuran
PubChem CID58487394
Molecular FormulaC9H6BrFO
Molecular Weight229.05 g/mol
Exact Mass227.96
IUPAC Name5-bromo-2-fluoro-6-methyl-1-benzofuran
SMILESCc1cc2oc(F)cc2cc1Br
InChIInChI=1S/C9H6BrFO/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4H,1H3
InChIKeyQAAMSBNSBMRLPC-UHFFFAOYSA-N
XLogP3.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-6-methyl-1-benzofuran?
The IUPAC name of 5-bromo-2-fluoro-6-methyl-1-benzofuran (CID 58487394) is 5-bromo-2-fluoro-6-methyl-1-benzofuran.
What is the SMILES notation for 5-bromo-2-fluoro-6-methyl-1-benzofuran?
The canonical SMILES for 5-bromo-2-fluoro-6-methyl-1-benzofuran is Cc1cc2oc(F)cc2cc1Br.
What is the InChIKey of 5-bromo-2-fluoro-6-methyl-1-benzofuran?
The InChIKey is QAAMSBNSBMRLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFO/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4H,1H3.
What are the key properties of 5-bromo-2-fluoro-6-methyl-1-benzofuran?
5-bromo-2-fluoro-6-methyl-1-benzofuran has a molecular weight of 229.05 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-6-methyl-1-benzofuran is sourced from PubChem (CID 58487394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).