tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum

C15H12F18LaO6+6 — CID 4598326

IUPACtris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum
SMILES[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[La]
InChIInChI=1S/3C5H2F6O2.La/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1H2;/p+6
InChIKeyVYISUUHAZCMNKI-UHFFFAOYSA-T
MW769.12 g/mol
LogP4.77
Rot. Bonds6

About tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum

tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum (PubChem CID 4598326) has the molecular formula C15H12F18LaO6+6 and a molecular weight of 769.12 g/mol. Its IUPAC name is tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum.

Molecular Properties

Compound Nametris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum
PubChem CID4598326
Molecular FormulaC15H12F18LaO6+6
Molecular Weight769.12 g/mol
Exact Mass768.94
IUPAC Nametris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum
SMILES[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[La]
InChIInChI=1S/3C5H2F6O2.La/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1H2;/p+6
InChIKeyVYISUUHAZCMNKI-UHFFFAOYSA-T
XLogP4.77
TPSA128.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500769.12
LogP ≤ 54.77
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 tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum with MolForge

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Launch Full Analysis

Related Compounds

tetrakis((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);zirconium
CID 5209698
chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)
CID 50909558
scandium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 3569331
samarium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 50909582
tris((6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxoniumylideneoctan-3-ylidene)oxidanium);terbium
CID 50918398
bis((1-tert-butyl-5-methyl-3-oxoniumylidenehexylidene)oxidanium);copper
CID 5030631
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)
CID 22834336
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 50911194
pentane-2,4-dione;2,2,2-trifluoroacetic acid
CID 161201748

Frequently Asked Questions

What is the IUPAC name of tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum?
The IUPAC name of tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum (CID 4598326) is tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum.
What is the SMILES notation for tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum?
The canonical SMILES for tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum is [H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[H]/[O+]=C(/C/C(=[O+]/[H])C(F)(F)F)C(F)(F)F.[La].
What is the InChIKey of tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum?
The InChIKey is VYISUUHAZCMNKI-UHFFFAOYSA-T. The full InChI is InChI=1S/3C5H2F6O2.La/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1H2;/p+6.
What are the key properties of tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum?
tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum has a molecular weight of 769.12 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris((1,1,1,5,5,5-hexafluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium);lanthanum is sourced from PubChem (CID 4598326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).