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bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)amine
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ChemBase ID:
93088
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Molecular Formular:
C16H5F30N
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Molecular Mass:
781.169696
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Monoisotopic Mass:
780.99429577
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SMILES and InChIs
SMILES:
FC(C(F)(F)C(C(F)(F)C(C(C(CNCC(C(C(F)(F)C(C(F)(C(F)(F)C(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)(CNCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI:
InChI=1S/C16H5F30N/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-47-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46/h47H,1-2H2
InChIKey:
FTLIVFJKISSELN-UHFFFAOYSA-N
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Cite this record
CBID:93088 http://www.chembase.cn/molecule-93088.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)amine
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IUPAC Traditional name
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bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)amine
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Synonyms
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Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooct-1-yl)amine
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Bis(1H,1H-perfluorooct-1-yl)amine
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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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1
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LogD (pH = 5.5)
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10.119789
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LogD (pH = 7.4)
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10.12496
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Log P
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10.125027
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Molar Refractivity
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81.6096 cm3
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Polarizability
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32.23771 Å3
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Polar Surface Area
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12.03 Å2
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Rotatable Bonds
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16
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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