cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)

C11H9Cl2Fe+ — CID 15191942

IUPACcyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)
SMILESClc1ccc(Cl)cc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C6H4Cl2.C5H5.Fe/c7-5-1-2-6(8)4-3-5;1-2-4-5-3-1;/h1-4H;1-5H;/q;-1;+2
InChIKeyLHFFEDFUTOFAGZ-UHFFFAOYSA-N
MW267.94 g/mol
LogP4.40
Rot. Bonds

About cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)

cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+) (PubChem CID 15191942) has the molecular formula C11H9Cl2Fe+ and a molecular weight of 267.94 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)
PubChem CID15191942
Molecular FormulaC11H9Cl2Fe+
Molecular Weight267.94 g/mol
Exact Mass266.94
IUPAC Namecyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)
SMILESClc1ccc(Cl)cc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C6H4Cl2.C5H5.Fe/c7-5-1-2-6(8)4-3-5;1-2-4-5-3-1;/h1-4H;1-5H;/q;-1;+2
InChIKeyLHFFEDFUTOFAGZ-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.94
LogP ≤ 54.40
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 cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+) (CID 15191942) is cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+) is Clc1ccc(Cl)cc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)?
The InChIKey is LHFFEDFUTOFAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C5H5.Fe/c7-5-1-2-6(8)4-3-5;1-2-4-5-3-1;/h1-4H;1-5H;/q;-1;+2.
What are the key properties of cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)?
cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+) has a molecular weight of 267.94 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+) is sourced from PubChem (CID 15191942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).