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

C6H2BrCl2F — CID 22926230

IUPAC5-bromo-1,3-dichloro-2-fluorobenzene
SMILESFc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyMMJSIYGLDQNUTH-UHFFFAOYSA-N
MW243.89 g/mol
LogP3.89
Rot. Bonds

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

5-bromo-1,3-dichloro-2-fluorobenzene (PubChem CID 22926230) has the molecular formula C6H2BrCl2F and a molecular weight of 243.89 g/mol. Its IUPAC name is 5-bromo-1,3-dichloro-2-fluorobenzene.

Molecular Properties

Compound Name5-bromo-1,3-dichloro-2-fluorobenzene
PubChem CID22926230
Molecular FormulaC6H2BrCl2F
Molecular Weight243.89 g/mol
Exact Mass241.87
IUPAC Name5-bromo-1,3-dichloro-2-fluorobenzene
SMILESFc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKeyMMJSIYGLDQNUTH-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 5-bromo-1,3-dichloro-2-fluorobenzene?
The IUPAC name of 5-bromo-1,3-dichloro-2-fluorobenzene (CID 22926230) is 5-bromo-1,3-dichloro-2-fluorobenzene.
What is the SMILES notation for 5-bromo-1,3-dichloro-2-fluorobenzene?
The canonical SMILES for 5-bromo-1,3-dichloro-2-fluorobenzene is Fc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 5-bromo-1,3-dichloro-2-fluorobenzene?
The InChIKey is MMJSIYGLDQNUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H.
What are the key properties of 5-bromo-1,3-dichloro-2-fluorobenzene?
5-bromo-1,3-dichloro-2-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 5-bromo-1,3-dichloro-2-fluorobenzene is sourced from PubChem (CID 22926230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).