chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)

C15H21CrF9O6+6 — CID 50909558

IUPACchromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)
SMILES[Cr].[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
InChIInChI=1S/3C5H5F3O2.Cr/c3*1-3(9)2-4(10)5(6,7)8;/h3*2H2,1H3;/p+6
InChIKeySSBVDMAGFOJXHG-UHFFFAOYSA-T
MW520.31 g/mol
LogP3.14
Rot. Bonds6

About chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)

chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium) (PubChem CID 50909558) has the molecular formula C15H21CrF9O6+6 and a molecular weight of 520.31 g/mol. Its IUPAC name is chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium).

Molecular Properties

Compound Namechromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)
PubChem CID50909558
Molecular FormulaC15H21CrF9O6+6
Molecular Weight520.31 g/mol
Exact Mass520.06
IUPAC Namechromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)
SMILES[Cr].[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
InChIInChI=1S/3C5H5F3O2.Cr/c3*1-3(9)2-4(10)5(6,7)8;/h3*2H2,1H3;/p+6
InChIKeySSBVDMAGFOJXHG-UHFFFAOYSA-T
XLogP3.14
TPSA128.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.31
LogP ≤ 53.14
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 chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium) with MolForge

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Related Compounds

tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium
CID 5209698
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
cobalt;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);dinitrite
CID 50911407
samarium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 50909582
tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium);yttrium
CID 50911554
scandium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 3569331
tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium
CID 50918398
CID 101086854
CID 101086854
(3-formyl-4-oxoniumylidenepentan-2-ylidene)oxidanium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium);ruthenium
CID 50909416
bis((4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium);oxovanadium
CID 5165107

Frequently Asked Questions

What is the IUPAC name of chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)?
The IUPAC name of chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium) (CID 50909558) is chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium).
What is the SMILES notation for chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)?
The canonical SMILES for chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium) is [Cr].[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.
What is the InChIKey of chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)?
The InChIKey is SSBVDMAGFOJXHG-UHFFFAOYSA-T. The full InChI is InChI=1S/3C5H5F3O2.Cr/c3*1-3(9)2-4(10)5(6,7)8;/h3*2H2,1H3;/p+6.
What are the key properties of chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)?
chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium) has a molecular weight of 520.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium) is sourced from PubChem (CID 50909558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).