bromozinc(1+);difluoromethylbenzene

C7H5BrF2Zn — CID 133144668

IUPACbromozinc(1+);difluoromethylbenzene
SMILESFC(F)c1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C7H5F2.BrH.Zn/c8-7(9)6-4-2-1-3-5-6;;/h2-5,7H;1H;/q-1;;+2/p-1
InChIKeyWZNKBKZMLJSVII-UHFFFAOYSA-M
MW272.41 g/mol
LogP3.27
Rot. Bonds1

About bromozinc(1+);difluoromethylbenzene

bromozinc(1+);difluoromethylbenzene (PubChem CID 133144668) has the molecular formula C7H5BrF2Zn and a molecular weight of 272.41 g/mol. Its IUPAC name is bromozinc(1+);difluoromethylbenzene.

Molecular Properties

Compound Namebromozinc(1+);difluoromethylbenzene
PubChem CID133144668
Molecular FormulaC7H5BrF2Zn
Molecular Weight272.41 g/mol
Exact Mass269.88
IUPAC Namebromozinc(1+);difluoromethylbenzene
SMILESFC(F)c1cc[c-]cc1.[Zn+]Br
InChIInChI=1S/C7H5F2.BrH.Zn/c8-7(9)6-4-2-1-3-5-6;;/h2-5,7H;1H;/q-1;;+2/p-1
InChIKeyWZNKBKZMLJSVII-UHFFFAOYSA-M
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.27
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'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);difluoromethylbenzene?
The IUPAC name of bromozinc(1+);difluoromethylbenzene (CID 133144668) is bromozinc(1+);difluoromethylbenzene.
What is the SMILES notation for bromozinc(1+);difluoromethylbenzene?
The canonical SMILES for bromozinc(1+);difluoromethylbenzene is FC(F)c1cc[c-]cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);difluoromethylbenzene?
The InChIKey is WZNKBKZMLJSVII-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F2.BrH.Zn/c8-7(9)6-4-2-1-3-5-6;;/h2-5,7H;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);difluoromethylbenzene?
bromozinc(1+);difluoromethylbenzene has a molecular weight of 272.41 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);difluoromethylbenzene is sourced from PubChem (CID 133144668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).