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14324-82-4 molecular structure
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1,1,1-trifluoro-4-({[(5,5,5-trifluoro-4-oxopent-2-en-2-yl)oxy]cuprio}oxy)pent-3-en-2-one

ChemBase ID: 150158
Molecular Formular: C10H8CuF6O4
Molecular Mass: 369.7045392
Monoisotopic Mass: 368.96227556
SMILES and InChIs

SMILES:
C/C(=C\C(=O)C(F)(F)F)/O[Cu]O/C(=C/C(=O)C(F)(F)F)/C
Canonical SMILES:
C/C(=C\C(=O)C(F)(F)F)/O[Cu]O/C(=C/C(=O)C(F)(F)F)/C
InChI:
InChI=1S/2C5H5F3O2.Cu/c2*1-3(9)2-4(10)5(6,7)8;/h2*2,9H,1H3;/q;;+2/p-2
InChIKey:
AVPIDDUYDBZFGY-UHFFFAOYSA-L

Cite this record

CBID:150158 http://www.chembase.cn/molecule-150158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1-trifluoro-4-({[(5,5,5-trifluoro-4-oxopent-2-en-2-yl)oxy]cuprio}oxy)pent-3-en-2-one
IUPAC Traditional name
1,1,1-trifluoro-4-({[(5,5,5-trifluoro-4-oxopent-2-en-2-yl)oxy]cuprio}oxy)pent-3-en-2-one
Synonyms
1,1,1-Trifluoro-2,4-pentanedione copper(II) derivative
Copper(II) trifluoroacetylacetonate
1,1,1-三氟-2,4-戊二酮 铜(II) 衍生物
三氟乙酰丙酮化铜
CAS Number
14324-82-4
EC Number
238-271-4
MDL Number
MFCD00042511
PubChem SID
162244319
24846553
PubChem CID
71311445

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
101826 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311445 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1772  LogD (pH = 7.4) 2.1772 
Log P 2.1772  Molar Refractivity 56.8702 cm3
Polarizability 23.251682 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
198-199 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
Cu(C5H4F3O2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 101826 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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