1-bromo-2-chloro-4-fluorobenzene

C6H3BrClF — CID 2733406

IUPAC1-bromo-2-chloro-4-fluorobenzene
SMILESFc1ccc(Br)c(Cl)c1
InChIInChI=1S/C6H3BrClF/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKeyLEFQPBAWVJEIJS-UHFFFAOYSA-N
MW209.44 g/mol
LogP3.24
Rot. Bonds

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

1-bromo-2-chloro-4-fluorobenzene (PubChem CID 2733406) has the molecular formula C6H3BrClF and a molecular weight of 209.44 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-fluorobenzene
PubChem CID2733406
Molecular FormulaC6H3BrClF
Molecular Weight209.44 g/mol
Exact Mass207.91
IUPAC Name1-bromo-2-chloro-4-fluorobenzene
SMILESFc1ccc(Br)c(Cl)c1
InChIInChI=1S/C6H3BrClF/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKeyLEFQPBAWVJEIJS-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 1-bromo-2-chloro-4-fluorobenzene?
The IUPAC name of 1-bromo-2-chloro-4-fluorobenzene (CID 2733406) is 1-bromo-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-chloro-4-fluorobenzene is Fc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2-chloro-4-fluorobenzene?
The InChIKey is LEFQPBAWVJEIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF/c7-5-2-1-4(9)3-6(5)8/h1-3H.
What are the key properties of 1-bromo-2-chloro-4-fluorobenzene?
1-bromo-2-chloro-4-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 1-bromo-2-chloro-4-fluorobenzene is sourced from PubChem (CID 2733406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).