1,2,4-tribromo-5-chloro-3-fluorobenzene

C6HBr3ClF — CID 90781371

IUPAC1,2,4-tribromo-5-chloro-3-fluorobenzene
SMILESFc1c(Br)c(Cl)cc(Br)c1Br
InChIInChI=1S/C6HBr3ClF/c7-2-1-3(10)5(9)6(11)4(2)8/h1H
InChIKeyLXJBVCRZDSHBEL-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.77
Rot. Bonds

About 1,2,4-tribromo-5-chloro-3-fluorobenzene

1,2,4-tribromo-5-chloro-3-fluorobenzene (PubChem CID 90781371) has the molecular formula C6HBr3ClF and a molecular weight of 367.24 g/mol. Its IUPAC name is 1,2,4-tribromo-5-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1,2,4-tribromo-5-chloro-3-fluorobenzene
PubChem CID90781371
Molecular FormulaC6HBr3ClF
Molecular Weight367.24 g/mol
Exact Mass363.73
IUPAC Name1,2,4-tribromo-5-chloro-3-fluorobenzene
SMILESFc1c(Br)c(Cl)cc(Br)c1Br
InChIInChI=1S/C6HBr3ClF/c7-2-1-3(10)5(9)6(11)4(2)8/h1H
InChIKeyLXJBVCRZDSHBEL-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.77
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 1,2,4-tribromo-5-chloro-3-fluorobenzene?
The IUPAC name of 1,2,4-tribromo-5-chloro-3-fluorobenzene (CID 90781371) is 1,2,4-tribromo-5-chloro-3-fluorobenzene.
What is the SMILES notation for 1,2,4-tribromo-5-chloro-3-fluorobenzene?
The canonical SMILES for 1,2,4-tribromo-5-chloro-3-fluorobenzene is Fc1c(Br)c(Cl)cc(Br)c1Br.
What is the InChIKey of 1,2,4-tribromo-5-chloro-3-fluorobenzene?
The InChIKey is LXJBVCRZDSHBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr3ClF/c7-2-1-3(10)5(9)6(11)4(2)8/h1H.
What are the key properties of 1,2,4-tribromo-5-chloro-3-fluorobenzene?
1,2,4-tribromo-5-chloro-3-fluorobenzene has a molecular weight of 367.24 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tribromo-5-chloro-3-fluorobenzene is sourced from PubChem (CID 90781371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).