1,3-dibromo-2-chloro-5-fluorobenzene

C6H2Br2ClF — CID 2724604

IUPAC1,3-dibromo-2-chloro-5-fluorobenzene
SMILESFc1cc(Br)c(Cl)c(Br)c1
InChIInChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKeyPZKDJJMHRYNBOR-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.00
Rot. Bonds

About 1,3-dibromo-2-chloro-5-fluorobenzene

1,3-dibromo-2-chloro-5-fluorobenzene (PubChem CID 2724604) has the molecular formula C6H2Br2ClF and a molecular weight of 288.34 g/mol. Its IUPAC name is 1,3-dibromo-2-chloro-5-fluorobenzene.

Molecular Properties

Compound Name1,3-dibromo-2-chloro-5-fluorobenzene
PubChem CID2724604
Molecular FormulaC6H2Br2ClF
Molecular Weight288.34 g/mol
Exact Mass285.82
IUPAC Name1,3-dibromo-2-chloro-5-fluorobenzene
SMILESFc1cc(Br)c(Cl)c(Br)c1
InChIInChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKeyPZKDJJMHRYNBOR-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-chloro-5-fluorobenzene?
The IUPAC name of 1,3-dibromo-2-chloro-5-fluorobenzene (CID 2724604) is 1,3-dibromo-2-chloro-5-fluorobenzene.
What is the SMILES notation for 1,3-dibromo-2-chloro-5-fluorobenzene?
The canonical SMILES for 1,3-dibromo-2-chloro-5-fluorobenzene is Fc1cc(Br)c(Cl)c(Br)c1.
What is the InChIKey of 1,3-dibromo-2-chloro-5-fluorobenzene?
The InChIKey is PZKDJJMHRYNBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H.
What are the key properties of 1,3-dibromo-2-chloro-5-fluorobenzene?
1,3-dibromo-2-chloro-5-fluorobenzene has a molecular weight of 288.34 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-chloro-5-fluorobenzene is sourced from PubChem (CID 2724604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).