5-bromo-4-chloro-7-fluoro-1-benzofuran

C8H3BrClFO — CID 84707015

IUPAC5-bromo-4-chloro-7-fluoro-1-benzofuran
SMILESFc1cc(Br)c(Cl)c2ccoc12
InChIInChI=1S/C8H3BrClFO/c9-5-3-6(11)8-4(7(5)10)1-2-12-8/h1-3H
InChIKeyMRGAPCMIRZLEQQ-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.99
Rot. Bonds

About 5-bromo-4-chloro-7-fluoro-1-benzofuran

5-bromo-4-chloro-7-fluoro-1-benzofuran (PubChem CID 84707015) has the molecular formula C8H3BrClFO and a molecular weight of 249.47 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-fluoro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-4-chloro-7-fluoro-1-benzofuran
PubChem CID84707015
Molecular FormulaC8H3BrClFO
Molecular Weight249.47 g/mol
Exact Mass247.90
IUPAC Name5-bromo-4-chloro-7-fluoro-1-benzofuran
SMILESFc1cc(Br)c(Cl)c2ccoc12
InChIInChI=1S/C8H3BrClFO/c9-5-3-6(11)8-4(7(5)10)1-2-12-8/h1-3H
InChIKeyMRGAPCMIRZLEQQ-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_1', 'substructure': 'N/A'}

Analyze 5-bromo-4-chloro-7-fluoro-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzofuran, 5-bromo-
CID 90015
3,5-Dibromobenzo[b]furan
CID 2795572
3-Bromo-5-chlorobenzofuran
CID 13184479
7-Bromo-5-fluoro-1-benzofuran
CID 22144816
5-Bromo-7-fluorobenzofuran
CID 22144820
7-Bromo-6-fluoro-1-benzofuran
CID 22144929
7-Bromo-4-chlorobenzofuran
CID 22495588
5-Bromo-6-fluoro-1-benzofuran
CID 83917116
5-Bromo-4,6-difluoro-1-benzofuran
CID 84795785
6-Chloro-7-fluoro-1-benzofuran
CID 104246104
7-Bromo-6-chloro-1-benzofuran
CID 130062980
5-Bromo-2-fluoro-1-benzofuran
CID 57439113

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-fluoro-1-benzofuran?
The IUPAC name of 5-bromo-4-chloro-7-fluoro-1-benzofuran (CID 84707015) is 5-bromo-4-chloro-7-fluoro-1-benzofuran.
What is the SMILES notation for 5-bromo-4-chloro-7-fluoro-1-benzofuran?
The canonical SMILES for 5-bromo-4-chloro-7-fluoro-1-benzofuran is Fc1cc(Br)c(Cl)c2ccoc12.
What is the InChIKey of 5-bromo-4-chloro-7-fluoro-1-benzofuran?
The InChIKey is MRGAPCMIRZLEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFO/c9-5-3-6(11)8-4(7(5)10)1-2-12-8/h1-3H.
What are the key properties of 5-bromo-4-chloro-7-fluoro-1-benzofuran?
5-bromo-4-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 5-bromo-4-chloro-7-fluoro-1-benzofuran is sourced from PubChem (CID 84707015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).