Home > Compound List > Compound details
679-13-0 molecular structure
click picture or here to close

tetrafluorobutanedioyl difluoride

ChemBase ID: 12142
Molecular Formular: C4F6O2
Molecular Mass: 194.0320192
Monoisotopic Mass: 193.98024856
SMILES and InChIs

SMILES:
O=C(F)C(C(C(=O)F)(F)F)(F)F
Canonical SMILES:
FC(=O)C(C(C(=O)F)(F)F)(F)F
InChI:
InChI=1S/C4F6O2/c5-1(11)3(7,8)4(9,10)2(6)12
InChIKey:
KNURRSZDMIXZLO-UHFFFAOYSA-N

Cite this record

CBID:12142 http://www.chembase.cn/molecule-12142.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrafluorobutanedioyl difluoride
IUPAC Traditional name
tetrafluorobutanedioyl difluoride
Synonyms
Tetrafluorosuccinyl fluoride
Perfluorosuccinoyl fluoride
Tetrafluorobutane-1,4-dioyl difluoride 97%
CAS Number
679-13-0
MDL Number
MFCD00171519
PubChem SID
160975449
PubChem CID
2776618

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776618 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6290146  LogD (pH = 7.4) 1.6290146 
Log P 1.6290146  Molar Refractivity 22.2216 cm3
Polarizability 8.563693 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
TOXIC, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle