tetrachloroiron(1-);tetramethylazanium

C4H12Cl4FeN — CID 88651889

IUPACtetrachloroiron(1-);tetramethylazanium
SMILESC[N+](C)(C)C.Cl[Fe-](Cl)(Cl)Cl
InChIInChI=1S/C4H12N.4ClH.Fe/c1-5(2,3)4;;;;;/h1-4H3;4*1H;/q+1;;;;;+3/p-4
InChIKeyQRLXMQFHXINRIF-UHFFFAOYSA-J
MW271.80 g/mol
LogP3.08
Rot. Bonds

About tetrachloroiron(1-);tetramethylazanium

tetrachloroiron(1-);tetramethylazanium (PubChem CID 88651889) has the molecular formula C4H12Cl4FeN and a molecular weight of 271.80 g/mol. Its IUPAC name is tetrachloroiron(1-);tetramethylazanium.

Molecular Properties

Compound Nametetrachloroiron(1-);tetramethylazanium
PubChem CID88651889
Molecular FormulaC4H12Cl4FeN
Molecular Weight271.80 g/mol
Exact Mass269.91
IUPAC Nametetrachloroiron(1-);tetramethylazanium
SMILESC[N+](C)(C)C.Cl[Fe-](Cl)(Cl)Cl
InChIInChI=1S/C4H12N.4ClH.Fe/c1-5(2,3)4;;;;;/h1-4H3;4*1H;/q+1;;;;;+3/p-4
InChIKeyQRLXMQFHXINRIF-UHFFFAOYSA-J
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrachloroiron(1-);tetramethylazanium?
The IUPAC name of tetrachloroiron(1-);tetramethylazanium (CID 88651889) is tetrachloroiron(1-);tetramethylazanium.
What is the SMILES notation for tetrachloroiron(1-);tetramethylazanium?
The canonical SMILES for tetrachloroiron(1-);tetramethylazanium is C[N+](C)(C)C.Cl[Fe-](Cl)(Cl)Cl.
What is the InChIKey of tetrachloroiron(1-);tetramethylazanium?
The InChIKey is QRLXMQFHXINRIF-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H12N.4ClH.Fe/c1-5(2,3)4;;;;;/h1-4H3;4*1H;/q+1;;;;;+3/p-4.
What are the key properties of tetrachloroiron(1-);tetramethylazanium?
tetrachloroiron(1-);tetramethylazanium has a molecular weight of 271.80 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrachloroiron(1-);tetramethylazanium is sourced from PubChem (CID 88651889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).