cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron

C10H8Cl2Fe-2 — CID 73162912

IUPACcyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron
SMILESClc1ccc[c-]1Cl.[Fe].c1cc[cH-]c1
InChIInChI=1S/C5H3Cl2.C5H5.Fe/c6-4-2-1-3-5(4)7;1-2-4-5-3-1;/h1-3H;1-5H;/q2*-1;
InChIKeyKLINIRMHOFYZQL-UHFFFAOYSA-N
MW254.93 g/mol
LogP4.12
Rot. Bonds

About cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron

cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron (PubChem CID 73162912) has the molecular formula C10H8Cl2Fe-2 and a molecular weight of 254.93 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron
PubChem CID73162912
Molecular FormulaC10H8Cl2Fe-2
Molecular Weight254.93 g/mol
Exact Mass253.94
IUPAC Namecyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron
SMILESClc1ccc[c-]1Cl.[Fe].c1cc[cH-]c1
InChIInChI=1S/C5H3Cl2.C5H5.Fe/c6-4-2-1-3-5(4)7;1-2-4-5-3-1;/h1-3H;1-5H;/q2*-1;
InChIKeyKLINIRMHOFYZQL-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.93
LogP ≤ 54.12
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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Related Compounds

cyclopentane;1,5-dichlorocyclopenta-1,3-diene;ruthenium
CID 175094223
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CID 161165043
cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)
CID 15191942
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
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CID 154427565
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CID 25036899
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);gold
CID 140990202
bis(cyclopenta-1,3-diene);nickel
CID 25199994
cyclopenta-1,3-diene;dichlorotantalum
CID 154448287
cyclopenta-1,3-diene;tetrachlorotantalum
CID 15842857

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron?
The IUPAC name of cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron (CID 73162912) is cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron.
What is the SMILES notation for cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron?
The canonical SMILES for cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron is Clc1ccc[c-]1Cl.[Fe].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron?
The InChIKey is KLINIRMHOFYZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2.C5H5.Fe/c6-4-2-1-3-5(4)7;1-2-4-5-3-1;/h1-3H;1-5H;/q2*-1;.
What are the key properties of cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron?
cyclopenta-1,3-diene;1,5-dichlorocyclopenta-1,3-diene;iron has a molecular weight of 254.93 g/mol, XLogP of 4.12, 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;1,5-dichlorocyclopenta-1,3-diene;iron is sourced from PubChem (CID 73162912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).