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octacosafluorotridecane
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ChemBase ID:
9810
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Molecular Formular:
C13F28
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Molecular Mass:
688.0943896
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Monoisotopic Mass:
687.95529016
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SMILES and InChIs
SMILES:
C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Canonical SMILES:
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI:
InChI=1S/C13F28/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)41
InChIKey:
XJRHWVMSUNRDCA-UHFFFAOYSA-N
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Cite this record
CBID:9810 http://www.chembase.cn/molecule-9810.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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IUPAC Traditional name
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Synonyms
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Perfluorotridecane 98%
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Perfluorotridecane
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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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0
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H Donor
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0
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LogD (pH = 5.5)
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9.788787
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LogD (pH = 7.4)
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9.788787
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Log P
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9.788787
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Molar Refractivity
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64.2172 cm3
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Polarizability
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25.883804 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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12
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent