2,4-dibromo-1-fluorobenzene

C6H3Br2F — CID 15034

IUPAC2,4-dibromo-1-fluorobenzene
SMILESFc1ccc(Br)cc1Br
InChIInChI=1S/C6H3Br2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyMKHDDTWHDFVYDQ-UHFFFAOYSA-N
MW253.90 g/mol
LogP3.35
Rot. Bonds

About 2,4-dibromo-1-fluorobenzene

2,4-dibromo-1-fluorobenzene (PubChem CID 15034) has the molecular formula C6H3Br2F and a molecular weight of 253.90 g/mol. Its IUPAC name is 2,4-dibromo-1-fluorobenzene.

Molecular Properties

Compound Name2,4-dibromo-1-fluorobenzene
PubChem CID15034
Molecular FormulaC6H3Br2F
Molecular Weight253.90 g/mol
Exact Mass251.86
IUPAC Name2,4-dibromo-1-fluorobenzene
SMILESFc1ccc(Br)cc1Br
InChIInChI=1S/C6H3Br2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKeyMKHDDTWHDFVYDQ-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.90
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4-dibromo-1-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-fluorobenzene?
The IUPAC name of 2,4-dibromo-1-fluorobenzene (CID 15034) is 2,4-dibromo-1-fluorobenzene.
What is the SMILES notation for 2,4-dibromo-1-fluorobenzene?
The canonical SMILES for 2,4-dibromo-1-fluorobenzene is Fc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-fluorobenzene?
The InChIKey is MKHDDTWHDFVYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2F/c7-4-1-2-6(9)5(8)3-4/h1-3H.
What are the key properties of 2,4-dibromo-1-fluorobenzene?
2,4-dibromo-1-fluorobenzene has a molecular weight of 253.90 g/mol, XLogP of 3.35, 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-fluorobenzene is sourced from PubChem (CID 15034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).