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

C6HBr2Cl2F — CID 50997826

IUPAC2,4-dibromo-1,3-dichloro-5-fluorobenzene
SMILESFc1cc(Cl)c(Br)c(Cl)c1Br
InChIInChI=1S/C6HBr2Cl2F/c7-4-2(9)1-3(11)5(8)6(4)10/h1H
InChIKeySFMSSZCTWYRRKL-UHFFFAOYSA-N
MW322.79 g/mol
LogP4.66
Rot. Bonds

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

2,4-dibromo-1,3-dichloro-5-fluorobenzene (PubChem CID 50997826) has the molecular formula C6HBr2Cl2F and a molecular weight of 322.79 g/mol. Its IUPAC name is 2,4-dibromo-1,3-dichloro-5-fluorobenzene.

Molecular Properties

Compound Name2,4-dibromo-1,3-dichloro-5-fluorobenzene
PubChem CID50997826
Molecular FormulaC6HBr2Cl2F
Molecular Weight322.79 g/mol
Exact Mass319.78
IUPAC Name2,4-dibromo-1,3-dichloro-5-fluorobenzene
SMILESFc1cc(Cl)c(Br)c(Cl)c1Br
InChIInChI=1S/C6HBr2Cl2F/c7-4-2(9)1-3(11)5(8)6(4)10/h1H
InChIKeySFMSSZCTWYRRKL-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 2,4-dibromo-1,3-dichloro-5-fluorobenzene?
The IUPAC name of 2,4-dibromo-1,3-dichloro-5-fluorobenzene (CID 50997826) is 2,4-dibromo-1,3-dichloro-5-fluorobenzene.
What is the SMILES notation for 2,4-dibromo-1,3-dichloro-5-fluorobenzene?
The canonical SMILES for 2,4-dibromo-1,3-dichloro-5-fluorobenzene is Fc1cc(Cl)c(Br)c(Cl)c1Br.
What is the InChIKey of 2,4-dibromo-1,3-dichloro-5-fluorobenzene?
The InChIKey is SFMSSZCTWYRRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2Cl2F/c7-4-2(9)1-3(11)5(8)6(4)10/h1H.
What are the key properties of 2,4-dibromo-1,3-dichloro-5-fluorobenzene?
2,4-dibromo-1,3-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 2,4-dibromo-1,3-dichloro-5-fluorobenzene is sourced from PubChem (CID 50997826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).