calcium;iron(2+);tetrachloride

CaCl4Fe — CID 162213955

IUPACcalcium;iron(2+);tetrachloride
SMILES[Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2]
InChIInChI=1S/Ca.4ClH.Fe/h;4*1H;/q+2;;;;;+2/p-4
InChIKeyZTFMLZCQQJOKPS-UHFFFAOYSA-J
MW237.74 g/mol
LogP-12.37
Rot. Bonds

About calcium;iron(2+);tetrachloride

calcium;iron(2+);tetrachloride (PubChem CID 162213955) has the molecular formula CaCl4Fe and a molecular weight of 237.74 g/mol. Its IUPAC name is calcium;iron(2+);tetrachloride.

Molecular Properties

Compound Namecalcium;iron(2+);tetrachloride
PubChem CID162213955
Molecular FormulaCaCl4Fe
Molecular Weight237.74 g/mol
Exact Mass235.77
IUPAC Namecalcium;iron(2+);tetrachloride
SMILES[Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2]
InChIInChI=1S/Ca.4ClH.Fe/h;4*1H;/q+2;;;;;+2/p-4
InChIKeyZTFMLZCQQJOKPS-UHFFFAOYSA-J
XLogP-12.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.74
LogP ≤ 5-12.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 22063811
calcium;zinc;trichloride
CID 158798380
dicalcium;methane;tetrachloride;dodecahydrate
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yttrium
CID 162445643
yttrium
CID 20634379
yttrium
CID 20634382
calcium;sodium;dichloride;hydrochloride
CID 157157845

Frequently Asked Questions

What is the IUPAC name of calcium;iron(2+);tetrachloride?
The IUPAC name of calcium;iron(2+);tetrachloride (CID 162213955) is calcium;iron(2+);tetrachloride.
What is the SMILES notation for calcium;iron(2+);tetrachloride?
The canonical SMILES for calcium;iron(2+);tetrachloride is [Ca+2].[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].
What is the InChIKey of calcium;iron(2+);tetrachloride?
The InChIKey is ZTFMLZCQQJOKPS-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.4ClH.Fe/h;4*1H;/q+2;;;;;+2/p-4.
What are the key properties of calcium;iron(2+);tetrachloride?
calcium;iron(2+);tetrachloride has a molecular weight of 237.74 g/mol, XLogP of -12.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;iron(2+);tetrachloride is sourced from PubChem (CID 162213955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).