3-bromo-6-chloro-7-fluoro-1-benzofuran

C8H3BrClFO — CID 146082035

IUPAC3-bromo-6-chloro-7-fluoro-1-benzofuran
SMILESFc1c(Cl)ccc2c(Br)coc12
InChIInChI=1S/C8H3BrClFO/c9-5-3-12-8-4(5)1-2-6(10)7(8)11/h1-3H
InChIKeyDYJQSZWGQLXVLL-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.99
Rot. Bonds

About 3-bromo-6-chloro-7-fluoro-1-benzofuran

3-bromo-6-chloro-7-fluoro-1-benzofuran (PubChem CID 146082035) has the molecular formula C8H3BrClFO and a molecular weight of 249.47 g/mol. Its IUPAC name is 3-bromo-6-chloro-7-fluoro-1-benzofuran.

Molecular Properties

Compound Name3-bromo-6-chloro-7-fluoro-1-benzofuran
PubChem CID146082035
Molecular FormulaC8H3BrClFO
Molecular Weight249.47 g/mol
Exact Mass247.90
IUPAC Name3-bromo-6-chloro-7-fluoro-1-benzofuran
SMILESFc1c(Cl)ccc2c(Br)coc12
InChIInChI=1S/C8H3BrClFO/c9-5-3-12-8-4(5)1-2-6(10)7(8)11/h1-3H
InChIKeyDYJQSZWGQLXVLL-UHFFFAOYSA-N
XLogP3.99
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-7-fluoro-1-benzofuran?
The IUPAC name of 3-bromo-6-chloro-7-fluoro-1-benzofuran (CID 146082035) is 3-bromo-6-chloro-7-fluoro-1-benzofuran.
What is the SMILES notation for 3-bromo-6-chloro-7-fluoro-1-benzofuran?
The canonical SMILES for 3-bromo-6-chloro-7-fluoro-1-benzofuran is Fc1c(Cl)ccc2c(Br)coc12.
What is the InChIKey of 3-bromo-6-chloro-7-fluoro-1-benzofuran?
The InChIKey is DYJQSZWGQLXVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFO/c9-5-3-12-8-4(5)1-2-6(10)7(8)11/h1-3H.
What are the key properties of 3-bromo-6-chloro-7-fluoro-1-benzofuran?
3-bromo-6-chloro-7-fluoro-1-benzofuran has a molecular weight of 249.47 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-7-fluoro-1-benzofuran is sourced from PubChem (CID 146082035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).