cyclopenta-1,3-diene;iron;hexafluorophosphate

C5H5F6FeP-2 — CID 175093533

IUPACcyclopenta-1,3-diene;iron;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Fe].c1cc[cH-]c1
InChIInChI=1S/C5H5.F6P.Fe/c1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-5H;;/q2*-1;
InChIKeyRHCHSZYXYMAWBZ-UHFFFAOYSA-N
MW265.90 g/mol
LogP4.79
Rot. Bonds

About cyclopenta-1,3-diene;iron;hexafluorophosphate

cyclopenta-1,3-diene;iron;hexafluorophosphate (PubChem CID 175093533) has the molecular formula C5H5F6FeP-2 and a molecular weight of 265.90 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron;hexafluorophosphate.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron;hexafluorophosphate
PubChem CID175093533
Molecular FormulaC5H5F6FeP-2
Molecular Weight265.90 g/mol
Exact Mass265.94
IUPAC Namecyclopenta-1,3-diene;iron;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Fe].c1cc[cH-]c1
InChIInChI=1S/C5H5.F6P.Fe/c1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-5H;;/q2*-1;
InChIKeyRHCHSZYXYMAWBZ-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.90
LogP ≤ 54.79
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate
CID 71310592
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
bis(cyclopenta-1,3-diene);nickel
CID 25199994
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);gold
CID 140990202
bis(cyclopenta-1,3-diene);iron;iron(2+);terephthalic acid;hexafluorophosphate
CID 139126896
cyclopenta-1,3-diene;cyclopentane;iron;hydrofluoride
CID 175426110
bis(cyclopenta-1,3-diene);zirconium;zirconium(2+)
CID 159549094
carbanide;cyclopenta-1,3-diene;iron(3+)
CID 139939973
tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)
CID 161107864
cyclopenta-1,3-diene;nickel;ruthenium(1+)
CID 161314247

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;iron;hexafluorophosphate?
The IUPAC name of cyclopenta-1,3-diene;iron;hexafluorophosphate (CID 175093533) is cyclopenta-1,3-diene;iron;hexafluorophosphate.
What is the SMILES notation for cyclopenta-1,3-diene;iron;hexafluorophosphate?
The canonical SMILES for cyclopenta-1,3-diene;iron;hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Fe].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron;hexafluorophosphate?
The InChIKey is RHCHSZYXYMAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.F6P.Fe/c1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-5H;;/q2*-1;.
What are the key properties of cyclopenta-1,3-diene;iron;hexafluorophosphate?
cyclopenta-1,3-diene;iron;hexafluorophosphate has a molecular weight of 265.90 g/mol, XLogP of 4.79, 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;iron;hexafluorophosphate is sourced from PubChem (CID 175093533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).