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2264-01-9 molecular structure
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2,2,3,3,4,4,5,5-octafluoro-6-(prop-2-enoyloxy)hexyl prop-2-enoate

ChemBase ID: 6529
Molecular Formular: C12H10F8O4
Molecular Mass: 370.1926256
Monoisotopic Mass: 370.04513456
SMILES and InChIs

SMILES:
C(C(COC(=O)C=C)(F)F)(C(C(COC(=O)C=C)(F)F)(F)F)(F)F
Canonical SMILES:
C=CC(=O)OCC(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C12H10F8O4/c1-3-7(21)23-5-9(13,14)11(17,18)12(19,20)10(15,16)6-24-8(22)4-2/h3-4H,1-2,5-6H2
InChIKey:
BWTMTZBMAGYMOD-UHFFFAOYSA-N

Cite this record

CBID:6529 http://www.chembase.cn/molecule-6529.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,5,5-octafluoro-6-(prop-2-enoyloxy)hexyl prop-2-enoate
IUPAC Traditional name
2,2,3,3,4,4,5,5-octafluoro-6-(prop-2-enoyloxy)hexyl prop-2-enoate
Synonyms
1H,1H,6H,6H-Perfluorohexane-1,6-diol diacrylate
2,2,3,3,4,4,5,5-Octafluoro-1,6-hexyl diacrylate
CAS Number
2264-01-9
MDL Number
MFCD00078412
PubChem SID
160969836
PubChem CID
2775863

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2775863 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.455395  LogD (pH = 7.4) 4.455395 
Log P 4.455395  Molar Refractivity 60.824 cm3
Polarizability 23.245173 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant 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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