1,3-dibromo-2,4-dichloro-5-fluorobenzene

C6HBr2Cl2F — CID 44891205

IUPAC1,3-dibromo-2,4-dichloro-5-fluorobenzene
SMILESFc1cc(Br)c(Cl)c(Br)c1Cl
InChIInChI=1S/C6HBr2Cl2F/c7-2-1-3(11)6(10)4(8)5(2)9/h1H
InChIKeyAPJRSPNDCYZFBN-UHFFFAOYSA-N
MW322.79 g/mol
LogP4.66
Rot. Bonds

About 1,3-dibromo-2,4-dichloro-5-fluorobenzene

1,3-dibromo-2,4-dichloro-5-fluorobenzene (PubChem CID 44891205) has the molecular formula C6HBr2Cl2F and a molecular weight of 322.79 g/mol. Its IUPAC name is 1,3-dibromo-2,4-dichloro-5-fluorobenzene.

Molecular Properties

Compound Name1,3-dibromo-2,4-dichloro-5-fluorobenzene
PubChem CID44891205
Molecular FormulaC6HBr2Cl2F
Molecular Weight322.79 g/mol
Exact Mass319.78
IUPAC Name1,3-dibromo-2,4-dichloro-5-fluorobenzene
SMILESFc1cc(Br)c(Cl)c(Br)c1Cl
InChIInChI=1S/C6HBr2Cl2F/c7-2-1-3(11)6(10)4(8)5(2)9/h1H
InChIKeyAPJRSPNDCYZFBN-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 54.66
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 1,3-dibromo-2,4-dichloro-5-fluorobenzene?
The IUPAC name of 1,3-dibromo-2,4-dichloro-5-fluorobenzene (CID 44891205) is 1,3-dibromo-2,4-dichloro-5-fluorobenzene.
What is the SMILES notation for 1,3-dibromo-2,4-dichloro-5-fluorobenzene?
The canonical SMILES for 1,3-dibromo-2,4-dichloro-5-fluorobenzene is Fc1cc(Br)c(Cl)c(Br)c1Cl.
What is the InChIKey of 1,3-dibromo-2,4-dichloro-5-fluorobenzene?
The InChIKey is APJRSPNDCYZFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2Cl2F/c7-2-1-3(11)6(10)4(8)5(2)9/h1H.
What are the key properties of 1,3-dibromo-2,4-dichloro-5-fluorobenzene?
1,3-dibromo-2,4-dichloro-5-fluorobenzene has a molecular weight of 322.79 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2,4-dichloro-5-fluorobenzene is sourced from PubChem (CID 44891205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).