7-bromo-6-chloro-5-fluoro-1-benzofuran

C8H3BrClFO — CID 22277281

IUPAC7-bromo-6-chloro-5-fluoro-1-benzofuran
SMILESFc1cc2ccoc2c(Br)c1Cl
InChIInChI=1S/C8H3BrClFO/c9-6-7(10)5(11)3-4-1-2-12-8(4)6/h1-3H
InChIKeyXVCYGYHQCUHCOL-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.99
Rot. Bonds

About 7-bromo-6-chloro-5-fluoro-1-benzofuran

7-bromo-6-chloro-5-fluoro-1-benzofuran (PubChem CID 22277281) has the molecular formula C8H3BrClFO and a molecular weight of 249.47 g/mol. Its IUPAC name is 7-bromo-6-chloro-5-fluoro-1-benzofuran.

Molecular Properties

Compound Name7-bromo-6-chloro-5-fluoro-1-benzofuran
PubChem CID22277281
Molecular FormulaC8H3BrClFO
Molecular Weight249.47 g/mol
Exact Mass247.90
IUPAC Name7-bromo-6-chloro-5-fluoro-1-benzofuran
SMILESFc1cc2ccoc2c(Br)c1Cl
InChIInChI=1S/C8H3BrClFO/c9-6-7(10)5(11)3-4-1-2-12-8(4)6/h1-3H
InChIKeyXVCYGYHQCUHCOL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-5-fluoro-1-benzofuran?
The IUPAC name of 7-bromo-6-chloro-5-fluoro-1-benzofuran (CID 22277281) is 7-bromo-6-chloro-5-fluoro-1-benzofuran.
What is the SMILES notation for 7-bromo-6-chloro-5-fluoro-1-benzofuran?
The canonical SMILES for 7-bromo-6-chloro-5-fluoro-1-benzofuran is Fc1cc2ccoc2c(Br)c1Cl.
What is the InChIKey of 7-bromo-6-chloro-5-fluoro-1-benzofuran?
The InChIKey is XVCYGYHQCUHCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFO/c9-6-7(10)5(11)3-4-1-2-12-8(4)6/h1-3H.
What are the key properties of 7-bromo-6-chloro-5-fluoro-1-benzofuran?
7-bromo-6-chloro-5-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 7-bromo-6-chloro-5-fluoro-1-benzofuran is sourced from PubChem (CID 22277281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).