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2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
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ChemBase ID:
100521
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Molecular Formular:
C8H2ClF13
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Molecular Mass:
380.5337216
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Monoisotopic Mass:
379.9637446
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SMILES and InChIs
SMILES:
ClC(=C)C(C(F)(F)C(F)(C(F)(F)C(C(F)(F)F)(F)F)F)(F)F
Canonical SMILES:
ClC(=C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8H2ClF13/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1H2
InChIKey:
SZFSPMFXRJVSPT-UHFFFAOYSA-N
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Cite this record
CBID:100521 http://www.chembase.cn/molecule-100521.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
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IUPAC Traditional name
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2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
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Synonyms
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2-1H,1H-Chloroperfluorooct-1-ene
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1-Chloro-1-(perfluorohexyl)ethylene
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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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0
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H Donor
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0
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LogD (pH = 5.5)
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5.5978475
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LogD (pH = 7.4)
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5.5978475
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Log P
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5.5978475
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Molar Refractivity
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44.638 cm3
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Polarizability
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17.083096 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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Irritant
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent