5-bromo-7-fluoro-3-methyl-1-benzofuran

C9H6BrFO — CID 70977139

IUPAC5-bromo-7-fluoro-3-methyl-1-benzofuran
SMILESCc1coc2c(F)cc(Br)cc12
InChIInChI=1S/C9H6BrFO/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-4H,1H3
InChIKeySULGCNKQZYGQPV-UHFFFAOYSA-N
MW229.05 g/mol
LogP3.64
Rot. Bonds

About 5-bromo-7-fluoro-3-methyl-1-benzofuran

5-bromo-7-fluoro-3-methyl-1-benzofuran (PubChem CID 70977139) has the molecular formula C9H6BrFO and a molecular weight of 229.05 g/mol. Its IUPAC name is 5-bromo-7-fluoro-3-methyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-fluoro-3-methyl-1-benzofuran
PubChem CID70977139
Molecular FormulaC9H6BrFO
Molecular Weight229.05 g/mol
Exact Mass227.96
IUPAC Name5-bromo-7-fluoro-3-methyl-1-benzofuran
SMILESCc1coc2c(F)cc(Br)cc12
InChIInChI=1S/C9H6BrFO/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-4H,1H3
InChIKeySULGCNKQZYGQPV-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-7-fluoro-3-methyl-1-benzofuran?
The IUPAC name of 5-bromo-7-fluoro-3-methyl-1-benzofuran (CID 70977139) is 5-bromo-7-fluoro-3-methyl-1-benzofuran.
What is the SMILES notation for 5-bromo-7-fluoro-3-methyl-1-benzofuran?
The canonical SMILES for 5-bromo-7-fluoro-3-methyl-1-benzofuran is Cc1coc2c(F)cc(Br)cc12.
What is the InChIKey of 5-bromo-7-fluoro-3-methyl-1-benzofuran?
The InChIKey is SULGCNKQZYGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFO/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-4H,1H3.
What are the key properties of 5-bromo-7-fluoro-3-methyl-1-benzofuran?
5-bromo-7-fluoro-3-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-7-fluoro-3-methyl-1-benzofuran is sourced from PubChem (CID 70977139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).