tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium

C20H28F12O8Zr+8 — CID 5209698

IUPACtetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium
SMILES[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[Zr]
InChIInChI=1S/4C5H5F3O2.Zr/c4*1-3(9)2-4(10)5(6,7)8;/h4*2H2,1H3;/p+8
InChIKeyRFKSRVWCEAGSJH-UHFFFAOYSA-V
MW715.64 g/mol
LogP4.19
Rot. Bonds8

About tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium

tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium (PubChem CID 5209698) has the molecular formula C20H28F12O8Zr+8 and a molecular weight of 715.64 g/mol. Its IUPAC name is tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium.

Molecular Properties

Compound Nametetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium
PubChem CID5209698
Molecular FormulaC20H28F12O8Zr+8
Molecular Weight715.64 g/mol
Exact Mass714.06
IUPAC Nametetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium
SMILES[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[Zr]
InChIInChI=1S/4C5H5F3O2.Zr/c4*1-3(9)2-4(10)5(6,7)8;/h4*2H2,1H3;/p+8
InChIKeyRFKSRVWCEAGSJH-UHFFFAOYSA-V
XLogP4.19
TPSA171.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500715.64
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium with MolForge

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Launch Full Analysis

Related Compounds

chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)
CID 50909558
tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum
CID 4598326
dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 5022932
dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 50911194
samarium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 50909582
scandium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 3569331
copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 5033021
tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium
CID 50918398
CID 101086854
CID 101086854
1,1,1-trifluoropentane-2,4-dione;zirconium
CID 87257091
(2Z,4Z)-2,3,4,5-tetrafluorohexa-2,4-diene
CID 24973613
ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)
CID 22834336

Frequently Asked Questions

What is the IUPAC name of tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium?
The IUPAC name of tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium (CID 5209698) is tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium.
What is the SMILES notation for tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium?
The canonical SMILES for tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium is [H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[H]/[O+]=C(/C/C(C)=[O+]/[H])C(F)(F)F.[Zr].
What is the InChIKey of tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium?
The InChIKey is RFKSRVWCEAGSJH-UHFFFAOYSA-V. The full InChI is InChI=1S/4C5H5F3O2.Zr/c4*1-3(9)2-4(10)5(6,7)8;/h4*2H2,1H3;/p+8.
What are the key properties of tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium?
tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium has a molecular weight of 715.64 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium is sourced from PubChem (CID 5209698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).