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87910-92-7 molecular structure
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2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoroprop-2-enoate

ChemBase ID: 97949
Molecular Formular: C8H5F9O2
Molecular Mass: 304.1097288
Monoisotopic Mass: 304.01458338
SMILES and InChIs

SMILES:
O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)C(=O)C(=C)F
Canonical SMILES:
FC(=C)C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8H5F9O2/c1-3(9)4(18)19-2-6(12,13)8(16,17)7(14,15)5(10)11/h5H,1-2H2
InChIKey:
PPQCLSSVNOGTKE-UHFFFAOYSA-N

Cite this record

CBID:97949 http://www.chembase.cn/molecule-97949.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-octafluoropentyl 2-fluoroprop-2-enoate
IUPAC Traditional name
2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoroprop-2-enoate
Synonyms
1H,1H,5H-Perfluoropentyl-2-fluoroacrylate
CAS Number
87910-92-7
MDL Number
MFCD03424476
PubChem SID
162084426
PubChem CID
2782528

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC4972 external link Add to cart Please log in.
Data Source Data ID
PubChem 2782528 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.789541  H Acceptors
H Donor LogD (pH = 5.5) 3.4080482 
LogD (pH = 7.4) 3.4080482  Log P 3.4080482 
Molar Refractivity 40.8278 cm3 Polarizability 15.713005 Å3
Polar Surface Area 26.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
70°C/21mm expand Show data source
Density
1.548 expand Show data source
Refractive Index
1.347 expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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