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2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoroprop-2-enoate
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ChemBase ID:
97949
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Molecular Formular:
C8H5F9O2
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Molecular Mass:
304.1097288
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Monoisotopic Mass:
304.01458338
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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
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Cite this record
CBID:97949 http://www.chembase.cn/molecule-97949.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoroprop-2-enoate
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IUPAC Traditional name
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2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoroprop-2-enoate
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Synonyms
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1H,1H,5H-Perfluoropentyl-2-fluoroacrylate
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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19.789541
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H Acceptors
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1
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H Donor
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0
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LogD (pH = 5.5)
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3.4080482
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LogD (pH = 7.4)
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3.4080482
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Log P
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3.4080482
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Molar Refractivity
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40.8278 cm3
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Polarizability
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15.713005 Å3
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Polar Surface Area
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26.3 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent