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prop-2-en-1-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
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ChemBase ID:
8262
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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=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCC=C
Canonical SMILES:
C=CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8H5F9O2/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2
InChIKey:
OUJAXDQRZMGUOM-UHFFFAOYSA-N
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Cite this record
CBID:8262 http://www.chembase.cn/molecule-8262.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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prop-2-en-1-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
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IUPAC Traditional name
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prop-2-en-1-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
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Synonyms
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Allyl perfluoropentanoate 97%
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Allyl perfluoropentanoate
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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
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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3.8880548
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LogD (pH = 7.4)
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3.8880548
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Log P
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3.8880548
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Molar Refractivity
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41.5897 cm3
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Polarizability
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15.71856 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