1-bromo-2,5-dichloro-3-fluorobenzene

C6H2BrCl2F — CID 618513

IUPAC1-bromo-2,5-dichloro-3-fluorobenzene
SMILESFc1cc(Cl)cc(Br)c1Cl
InChIInChI=1S/C6H2BrCl2F/c7-4-1-3(8)2-5(10)6(4)9/h1-2H
InChIKeyCAYJMDVKWMVOLG-UHFFFAOYSA-N
MW243.89 g/mol
LogP3.89
Rot. Bonds

About 1-bromo-2,5-dichloro-3-fluorobenzene

1-bromo-2,5-dichloro-3-fluorobenzene (PubChem CID 618513) has the molecular formula C6H2BrCl2F and a molecular weight of 243.89 g/mol. Its IUPAC name is 1-bromo-2,5-dichloro-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2,5-dichloro-3-fluorobenzene
PubChem CID618513
Molecular FormulaC6H2BrCl2F
Molecular Weight243.89 g/mol
Exact Mass241.87
IUPAC Name1-bromo-2,5-dichloro-3-fluorobenzene
SMILESFc1cc(Cl)cc(Br)c1Cl
InChIInChI=1S/C6H2BrCl2F/c7-4-1-3(8)2-5(10)6(4)9/h1-2H
InChIKeyCAYJMDVKWMVOLG-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.89
LogP ≤ 53.89
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-bromo-2,5-dichloro-3-fluorobenzene?
The IUPAC name of 1-bromo-2,5-dichloro-3-fluorobenzene (CID 618513) is 1-bromo-2,5-dichloro-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2,5-dichloro-3-fluorobenzene?
The canonical SMILES for 1-bromo-2,5-dichloro-3-fluorobenzene is Fc1cc(Cl)cc(Br)c1Cl.
What is the InChIKey of 1-bromo-2,5-dichloro-3-fluorobenzene?
The InChIKey is CAYJMDVKWMVOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2F/c7-4-1-3(8)2-5(10)6(4)9/h1-2H.
What are the key properties of 1-bromo-2,5-dichloro-3-fluorobenzene?
1-bromo-2,5-dichloro-3-fluorobenzene has a molecular weight of 243.89 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,5-dichloro-3-fluorobenzene is sourced from PubChem (CID 618513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).