4-bromo-1-chloro-2-fluorobenzene

C6H3BrClF — CID 2724690

IUPAC4-bromo-1-chloro-2-fluorobenzene
SMILESFc1cc(Br)ccc1Cl
InChIInChI=1S/C6H3BrClF/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyAGYWDGVTLKNTBS-UHFFFAOYSA-N
MW209.44 g/mol
LogP3.24
Rot. Bonds

About 4-bromo-1-chloro-2-fluorobenzene

4-bromo-1-chloro-2-fluorobenzene (PubChem CID 2724690) has the molecular formula C6H3BrClF and a molecular weight of 209.44 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-fluorobenzene
PubChem CID2724690
Molecular FormulaC6H3BrClF
Molecular Weight209.44 g/mol
Exact Mass207.91
IUPAC Name4-bromo-1-chloro-2-fluorobenzene
SMILESFc1cc(Br)ccc1Cl
InChIInChI=1S/C6H3BrClF/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKeyAGYWDGVTLKNTBS-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-fluorobenzene?
The IUPAC name of 4-bromo-1-chloro-2-fluorobenzene (CID 2724690) is 4-bromo-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-chloro-2-fluorobenzene is Fc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-fluorobenzene?
The InChIKey is AGYWDGVTLKNTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF/c7-4-1-2-5(8)6(9)3-4/h1-3H.
What are the key properties of 4-bromo-1-chloro-2-fluorobenzene?
4-bromo-1-chloro-2-fluorobenzene has a molecular weight of 209.44 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-fluorobenzene is sourced from PubChem (CID 2724690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).