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656353-51-7 molecular structure
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platinum(2+) ion 1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate

ChemBase ID: 98878
Molecular Formular: C5HF6O2Pt+
Molecular Mass: 402.1286592
Monoisotopic Mass: 401.95286459
SMILES and InChIs

SMILES:
[Pt+2].[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F
Canonical SMILES:
[O-]/C(=C\C(=O)C(F)(F)F)/C(F)(F)F.[Pt+2]
InChI:
InChI=1S/C5H2F6O2.Pt/c6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,12H;/q;+2/p-1
InChIKey:
SMQAYSKMKWFLGL-UHFFFAOYSA-M

Cite this record

CBID:98878 http://www.chembase.cn/molecule-98878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
platinum(2+) ion 1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
IUPAC Traditional name
platinum(2+) 1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate
Synonyms
Platinum(II) hexafluoroacetylacetonate 99%
CAS Number
656353-51-7
MDL Number
MFCD00058733
PubChem SID
162085221
PubChem CID
44717619

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 44717619 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7387822  H Acceptors
H Donor LogD (pH = 5.5) -0.61847794 
LogD (pH = 7.4) -1.4234238  Log P 2.0751166 
Molar Refractivity 40.9013 cm3 Polarizability 10.132205 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
143-145°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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