cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene

C13H17F6FeSb — CID 174350152

IUPACcyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene
SMILESC1=CCC=C1.Cc1ccccc1C.F[Sb-](F)(F)(F)(F)F.[Fe].[H+]
InChIInChI=1S/C8H10.C5H6.6FH.Fe.Sb/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;1-4H,5H2;6*1H;;/q;;;;;;;;;+5/p-5
InChIKeyTZPABXYGSZNMCK-UHFFFAOYSA-I
MW464.87 g/mol
LogP6.06
Rot. Bonds

About cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene

cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene (PubChem CID 174350152) has the molecular formula C13H17F6FeSb and a molecular weight of 464.87 g/mol. Its IUPAC name is cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene
PubChem CID174350152
Molecular FormulaC13H17F6FeSb
Molecular Weight464.87 g/mol
Exact Mass463.96
IUPAC Namecyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene
SMILESC1=CCC=C1.Cc1ccccc1C.F[Sb-](F)(F)(F)(F)F.[Fe].[H+]
InChIInChI=1S/C8H10.C5H6.6FH.Fe.Sb/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;1-4H,5H2;6*1H;;/q;;;;;;;;;+5/p-5
InChIKeyTZPABXYGSZNMCK-UHFFFAOYSA-I
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.87
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene?
The IUPAC name of cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene (CID 174350152) is cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene.
What is the SMILES notation for cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene?
The canonical SMILES for cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene is C1=CCC=C1.Cc1ccccc1C.F[Sb-](F)(F)(F)(F)F.[Fe].[H+].
What is the InChIKey of cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene?
The InChIKey is TZPABXYGSZNMCK-UHFFFAOYSA-I. The full InChI is InChI=1S/C8H10.C5H6.6FH.Fe.Sb/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;1-4H,5H2;6*1H;;/q;;;;;;;;;+5/p-5.
What are the key properties of cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene?
cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene has a molecular weight of 464.87 g/mol, XLogP of 6.06, 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;hexafluoroantimony(1-);hydron;iron;1,2-xylene is sourced from PubChem (CID 174350152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).