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678-78-4 molecular structure
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hexafluoropentanedioyl difluoride

ChemBase ID: 8887
Molecular Formular: C5F8O2
Molecular Mass: 244.0395256
Monoisotopic Mass: 243.977055
SMILES and InChIs

SMILES:
O=C(F)C(C(C(C(=O)F)(F)F)(F)F)(F)F
Canonical SMILES:
FC(=O)C(C(C(C(=O)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C5F8O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
InChIKey:
XAKMJUAGVWKMOB-UHFFFAOYSA-N

Cite this record

CBID:8887 http://www.chembase.cn/molecule-8887.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexafluoropentanedioyl difluoride
IUPAC Traditional name
hexafluoropentanedioyl difluoride
Synonyms
Hexafluoroglutaryl fluoride
Hexafluoroglutaryl fluoride 97%
CAS Number
678-78-4
MDL Number
MFCD00054652
PubChem SID
160972194
PubChem CID
69622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 69622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3296573  LogD (pH = 7.4) 2.3296573 
Log P 2.3296573  Molar Refractivity 26.8896 cm3
Polarizability 10.474884 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
46-47°C expand Show data source
Flash Point
none°C expand Show data source
Storage Warning
CORROSIVE expand Show data source
Corrosive/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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