Home > Compound List > Compound details
678-95-5 molecular structure
click picture or here to close

2,2,3,3,4,4-hexafluoro-5-(prop-2-enoyloxy)pentyl prop-2-enoate

ChemBase ID: 6536
Molecular Formular: C11H10F6O4
Molecular Mass: 320.1851192
Monoisotopic Mass: 320.04832812
SMILES and InChIs

SMILES:
O=C(OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)C=C
Canonical SMILES:
C=CC(=O)OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F
InChI:
InChI=1S/C11H10F6O4/c1-3-7(18)20-5-9(12,13)11(16,17)10(14,15)6-21-8(19)4-2/h3-4H,1-2,5-6H2
InChIKey:
DOZNAYNLYNBXKE-UHFFFAOYSA-N

Cite this record

CBID:6536 http://www.chembase.cn/molecule-6536.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4-hexafluoro-5-(prop-2-enoyloxy)pentyl prop-2-enoate
IUPAC Traditional name
2,2,3,3,4,4-hexafluoro-5-(prop-2-enoyloxy)pentyl prop-2-enoate
Synonyms
2,2,3,3,4,4-Hexafluoro-1,5-pentyl diacrylate
2,2,3,3,4,4-Hexafluoropentane-1,5-diyl bis(prop-2-enoate)
1H,1H,5H,5H-Perfluoropentane-1,5-diyl diacrylate 97%
CAS Number
678-95-5
MDL Number
MFCD02093323
PubChem SID
160969843
PubChem CID
2779230

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2779230 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7547526  LogD (pH = 7.4) 3.7547526 
Log P 3.7547526  Molar Refractivity 56.156 cm3
Polarizability 21.465136 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
105/0.1°C expand Show data source
Storage Warning
Harmful/Irritant/Hygroscopic/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific

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