bromozinc(1+);fluorobenzene

C6H4BrFZn — CID 2778148

IUPACbromozinc(1+);fluorobenzene
SMILESFc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C6H4F.BrH.Zn/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyVRJVWWPYGMESMA-UHFFFAOYSA-M
MW240.39 g/mol
LogP2.47
Rot. Bonds

About bromozinc(1+);fluorobenzene

bromozinc(1+);fluorobenzene (PubChem CID 2778148) has the molecular formula C6H4BrFZn and a molecular weight of 240.39 g/mol. Its IUPAC name is bromozinc(1+);fluorobenzene.

Molecular Properties

Compound Namebromozinc(1+);fluorobenzene
PubChem CID2778148
Molecular FormulaC6H4BrFZn
Molecular Weight240.39 g/mol
Exact Mass237.88
IUPAC Namebromozinc(1+);fluorobenzene
SMILESFc1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C6H4F.BrH.Zn/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyVRJVWWPYGMESMA-UHFFFAOYSA-M
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bromozinc(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 bromozinc(1+);fluorobenzene?
The IUPAC name of bromozinc(1+);fluorobenzene (CID 2778148) is bromozinc(1+);fluorobenzene.
What is the SMILES notation for bromozinc(1+);fluorobenzene?
The canonical SMILES for bromozinc(1+);fluorobenzene is Fc1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);fluorobenzene?
The InChIKey is VRJVWWPYGMESMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F.BrH.Zn/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);fluorobenzene?
bromozinc(1+);fluorobenzene has a molecular weight of 240.39 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);fluorobenzene is sourced from PubChem (CID 2778148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).