chlorozinc(1+);1,4-difluoro-2-methanidylbenzene

C7H5ClF2Zn — CID 4277138

IUPACchlorozinc(1+);1,4-difluoro-2-methanidylbenzene
SMILESCl[Zn+].[CH2-]c1cc(F)ccc1F
InChIInChI=1S/C7H5F2.ClH.Zn/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyUAHNIMYAJUQSNU-UHFFFAOYSA-M
MW227.96 g/mol
LogP2.83
Rot. Bonds

About chlorozinc(1+);1,4-difluoro-2-methanidylbenzene

chlorozinc(1+);1,4-difluoro-2-methanidylbenzene (PubChem CID 4277138) has the molecular formula C7H5ClF2Zn and a molecular weight of 227.96 g/mol. Its IUPAC name is chlorozinc(1+);1,4-difluoro-2-methanidylbenzene.

Molecular Properties

Compound Namechlorozinc(1+);1,4-difluoro-2-methanidylbenzene
PubChem CID4277138
Molecular FormulaC7H5ClF2Zn
Molecular Weight227.96 g/mol
Exact Mass225.93
IUPAC Namechlorozinc(1+);1,4-difluoro-2-methanidylbenzene
SMILESCl[Zn+].[CH2-]c1cc(F)ccc1F
InChIInChI=1S/C7H5F2.ClH.Zn/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChIKeyUAHNIMYAJUQSNU-UHFFFAOYSA-M
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.96
LogP ≤ 52.83
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 chlorozinc(1+);1,4-difluoro-2-methanidylbenzene?
The IUPAC name of chlorozinc(1+);1,4-difluoro-2-methanidylbenzene (CID 4277138) is chlorozinc(1+);1,4-difluoro-2-methanidylbenzene.
What is the SMILES notation for chlorozinc(1+);1,4-difluoro-2-methanidylbenzene?
The canonical SMILES for chlorozinc(1+);1,4-difluoro-2-methanidylbenzene is Cl[Zn+].[CH2-]c1cc(F)ccc1F.
What is the InChIKey of chlorozinc(1+);1,4-difluoro-2-methanidylbenzene?
The InChIKey is UAHNIMYAJUQSNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F2.ClH.Zn/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);1,4-difluoro-2-methanidylbenzene?
chlorozinc(1+);1,4-difluoro-2-methanidylbenzene has a molecular weight of 227.96 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);1,4-difluoro-2-methanidylbenzene is sourced from PubChem (CID 4277138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).