1,2,3-tribromo-4,6-dichloro-5-fluorobenzene

C6Br3Cl2F — CID 169337134

IUPAC1,2,3-tribromo-4,6-dichloro-5-fluorobenzene
SMILESFc1c(Cl)c(Br)c(Br)c(Br)c1Cl
InChIInChI=1S/C6Br3Cl2F/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyHROAXOLXTHABRL-UHFFFAOYSA-N
MW401.68 g/mol
LogP5.42
Rot. Bonds

About 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene

1,2,3-tribromo-4,6-dichloro-5-fluorobenzene (PubChem CID 169337134) has the molecular formula C6Br3Cl2F and a molecular weight of 401.68 g/mol. Its IUPAC name is 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene.

Molecular Properties

Compound Name1,2,3-tribromo-4,6-dichloro-5-fluorobenzene
PubChem CID169337134
Molecular FormulaC6Br3Cl2F
Molecular Weight401.68 g/mol
Exact Mass397.69
IUPAC Name1,2,3-tribromo-4,6-dichloro-5-fluorobenzene
SMILESFc1c(Cl)c(Br)c(Br)c(Br)c1Cl
InChIInChI=1S/C6Br3Cl2F/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyHROAXOLXTHABRL-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.68
LogP ≤ 55.42
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 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene?
The IUPAC name of 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene (CID 169337134) is 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene.
What is the SMILES notation for 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene?
The canonical SMILES for 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene is Fc1c(Cl)c(Br)c(Br)c(Br)c1Cl.
What is the InChIKey of 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene?
The InChIKey is HROAXOLXTHABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br3Cl2F/c7-1-2(8)4(10)6(12)5(11)3(1)9.
What are the key properties of 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene?
1,2,3-tribromo-4,6-dichloro-5-fluorobenzene has a molecular weight of 401.68 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-4,6-dichloro-5-fluorobenzene is sourced from PubChem (CID 169337134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).