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2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine
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ChemBase ID:
100269
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Molecular Formular:
C6H8F8N2
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Molecular Mass:
260.1283456
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Monoisotopic Mass:
260.05597403
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SMILES and InChIs
SMILES:
NCC(F)(F)C(F)(F)C(C(CN)(F)F)(F)F
Canonical SMILES:
NCC(C(C(C(CN)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C6H8F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2,15-16H2
InChIKey:
SQYCOUFPSXBQSO-UHFFFAOYSA-N
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Cite this record
CBID:100269 http://www.chembase.cn/molecule-100269.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-octafluorohexane-1,6-diamine
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IUPAC Traditional name
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2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine
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Synonyms
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2,2,3,3,4,4,5,5-Octafluoro-1,6-hexamethylenediamine
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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 Donor
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2
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LogD (pH = 5.5)
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-2.3390172
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LogD (pH = 7.4)
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0.7950134
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Log P
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1.3801281
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Molar Refractivity
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36.5406 cm3
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Polarizability
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14.274433 Å3
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Polar Surface Area
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52.04 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent