bromozinc(1+);1,3-difluoro-5-methanidylbenzene

C7H5BrF2Zn — CID 6093581

IUPACbromozinc(1+);1,3-difluoro-5-methanidylbenzene
SMILES[CH2-]c1cc(F)cc(F)c1.[Zn+]Br
InChIInChI=1S/C7H5F2.BrH.Zn/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyHUTYJRVTQJKGIO-UHFFFAOYSA-M
MW272.41 g/mol
LogP2.99
Rot. Bonds

About bromozinc(1+);1,3-difluoro-5-methanidylbenzene

bromozinc(1+);1,3-difluoro-5-methanidylbenzene (PubChem CID 6093581) has the molecular formula C7H5BrF2Zn and a molecular weight of 272.41 g/mol. Its IUPAC name is bromozinc(1+);1,3-difluoro-5-methanidylbenzene.

Molecular Properties

Compound Namebromozinc(1+);1,3-difluoro-5-methanidylbenzene
PubChem CID6093581
Molecular FormulaC7H5BrF2Zn
Molecular Weight272.41 g/mol
Exact Mass269.88
IUPAC Namebromozinc(1+);1,3-difluoro-5-methanidylbenzene
SMILES[CH2-]c1cc(F)cc(F)c1.[Zn+]Br
InChIInChI=1S/C7H5F2.BrH.Zn/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyHUTYJRVTQJKGIO-UHFFFAOYSA-M
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.99
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+);1,3-difluoro-5-methanidylbenzene?
The IUPAC name of bromozinc(1+);1,3-difluoro-5-methanidylbenzene (CID 6093581) is bromozinc(1+);1,3-difluoro-5-methanidylbenzene.
What is the SMILES notation for bromozinc(1+);1,3-difluoro-5-methanidylbenzene?
The canonical SMILES for bromozinc(1+);1,3-difluoro-5-methanidylbenzene is [CH2-]c1cc(F)cc(F)c1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1,3-difluoro-5-methanidylbenzene?
The InChIKey is HUTYJRVTQJKGIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F2.BrH.Zn/c1-5-2-6(8)4-7(9)3-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1,3-difluoro-5-methanidylbenzene?
bromozinc(1+);1,3-difluoro-5-methanidylbenzene has a molecular weight of 272.41 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1,3-difluoro-5-methanidylbenzene is sourced from PubChem (CID 6093581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).