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

C13H15F6FeSb+ — CID 21188889

IUPACcyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene
SMILESCc1ccccc1C.F[Sb-](F)(F)(F)(F)F.[C-]1=CC=CC1.[Fe+3]
InChIInChI=1S/C8H10.C5H5.6FH.Fe.Sb/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;1-3H,4H2;6*1H;;/q;-1;;;;;;;+3;+5/p-6
InChIKeyFRYNQQOTKQVUGR-UHFFFAOYSA-H
MW462.86 g/mol
LogP5.75
Rot. Bonds

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

cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene (PubChem CID 21188889) has the molecular formula C13H15F6FeSb+ and a molecular weight of 462.86 g/mol. Its IUPAC name is cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene
PubChem CID21188889
Molecular FormulaC13H15F6FeSb+
Molecular Weight462.86 g/mol
Exact Mass461.95
IUPAC Namecyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene
SMILESCc1ccccc1C.F[Sb-](F)(F)(F)(F)F.[C-]1=CC=CC1.[Fe+3]
InChIInChI=1S/C8H10.C5H5.6FH.Fe.Sb/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;1-3H,4H2;6*1H;;/q;-1;;;;;;;+3;+5/p-6
InChIKeyFRYNQQOTKQVUGR-UHFFFAOYSA-H
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.86
LogP ≤ 55.75
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

cyclopenta-1,3-diene;iron(2+);2-methylphenolate
CID 174698889
bis(cyclopenta-1,3-diene);bis(2,6-dimethylphenol);zirconium(2+)
CID 22676114
bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
CID 174807203
carbanide;cyclopenta-1,3-diene;dichlorotitanium;2-methylphenol
CID 87555289
bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
CID 158996763
cyclopenta-1,3-diene;hexafluoroantimony(1-);hydron;iron;1,2-xylene
CID 174350152
cyclopenta-1,3-diene;1,3-dimethylbenzene-2-ide;titanium(4+);dichloride
CID 87146569
benzene;cyclopenta-1,3-diene;manganese
CID 67644722
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cesium cyclopenta-1,3-diene
CID 18362255

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene?
The IUPAC name of cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene (CID 21188889) is cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene.
What is the SMILES notation for cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene?
The canonical SMILES for cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene is Cc1ccccc1C.F[Sb-](F)(F)(F)(F)F.[C-]1=CC=CC1.[Fe+3].
What is the InChIKey of cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene?
The InChIKey is FRYNQQOTKQVUGR-UHFFFAOYSA-H. The full InChI is InChI=1S/C8H10.C5H5.6FH.Fe.Sb/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;1-3H,4H2;6*1H;;/q;-1;;;;;;;+3;+5/p-6.
What are the key properties of cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene?
cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene has a molecular weight of 462.86 g/mol, XLogP of 5.75, 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-);iron(3+);1,2-xylene is sourced from PubChem (CID 21188889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).