1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene

C6BrCl4F — CID 628565

IUPAC1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene
SMILESFc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl
InChIInChI=1S/C6BrCl4F/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyPMBJPOHVLKGCTF-UHFFFAOYSA-N
MW312.78 g/mol
LogP5.20
Rot. Bonds

About 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene

1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene (PubChem CID 628565) has the molecular formula C6BrCl4F and a molecular weight of 312.78 g/mol. Its IUPAC name is 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene
PubChem CID628565
Molecular FormulaC6BrCl4F
Molecular Weight312.78 g/mol
Exact Mass309.79
IUPAC Name1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene
SMILESFc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl
InChIInChI=1S/C6BrCl4F/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyPMBJPOHVLKGCTF-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.78
LogP ≤ 55.20
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-2,3,5,6-tetrachloro-4-fluorobenzene?
The IUPAC name of 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene (CID 628565) is 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene?
The canonical SMILES for 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene is Fc1c(Cl)c(Cl)c(Br)c(Cl)c1Cl.
What is the InChIKey of 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene?
The InChIKey is PMBJPOHVLKGCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BrCl4F/c7-1-2(8)4(10)6(12)5(11)3(1)9.
What are the key properties of 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene?
1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene has a molecular weight of 312.78 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3,5,6-tetrachloro-4-fluorobenzene is sourced from PubChem (CID 628565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).