zinc;ethane;fluorobenzene

C8H9FZn — CID 89188895

IUPACzinc;ethane;fluorobenzene
SMILESFc1cc[c-]cc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C6H4F.C2H5.Zn/c7-6-4-2-1-3-5-6;1-2;/h2-5H;1H2,2H3;/q2*-1;+2
InChIKeyJQEOOFGLUDJVLL-UHFFFAOYSA-N
MW189.55 g/mol
LogP2.46
Rot. Bonds

About zinc;ethane;fluorobenzene

zinc;ethane;fluorobenzene (PubChem CID 89188895) has the molecular formula C8H9FZn and a molecular weight of 189.55 g/mol. Its IUPAC name is zinc;ethane;fluorobenzene.

Molecular Properties

Compound Namezinc;ethane;fluorobenzene
PubChem CID89188895
Molecular FormulaC8H9FZn
Molecular Weight189.55 g/mol
Exact Mass188.00
IUPAC Namezinc;ethane;fluorobenzene
SMILESFc1cc[c-]cc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C6H4F.C2H5.Zn/c7-6-4-2-1-3-5-6;1-2;/h2-5H;1H2,2H3;/q2*-1;+2
InChIKeyJQEOOFGLUDJVLL-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.55
LogP ≤ 52.46
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 zinc;ethane;fluorobenzene?
The IUPAC name of zinc;ethane;fluorobenzene (CID 89188895) is zinc;ethane;fluorobenzene.
What is the SMILES notation for zinc;ethane;fluorobenzene?
The canonical SMILES for zinc;ethane;fluorobenzene is Fc1cc[c-]cc1.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;ethane;fluorobenzene?
The InChIKey is JQEOOFGLUDJVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F.C2H5.Zn/c7-6-4-2-1-3-5-6;1-2;/h2-5H;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;ethane;fluorobenzene?
zinc;ethane;fluorobenzene has a molecular weight of 189.55 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;fluorobenzene is sourced from PubChem (CID 89188895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).