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2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
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ChemBase ID:
11964
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Molecular Formular:
C8H2F16O3S
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Molecular Mass:
482.1391312
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Monoisotopic Mass:
481.94691644
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SMILES and InChIs
SMILES:
C(C(C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Canonical SMILES:
FC(C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI:
InChI=1S/C8H2F16O3S/c9-2(10,3(11,12)6(17,18)19)1-27-28(25,26)8(23,24)5(15,16)4(13,14)7(20,21)22/h1H2
InChIKey:
TXGIYYDHRSACPQ-UHFFFAOYSA-N
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Cite this record
CBID:11964 http://www.chembase.cn/molecule-11964.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
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IUPAC Traditional name
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2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
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Synonyms
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1H,1H-Heptafluorobutyl nonafluorobutanesulfonate
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1H,1H-Perfluorobutyl nonaflate
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1H,1H-Heptafluorobutyl nonafluorobutane sulphonate 97%
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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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2
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H Donor
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0
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LogD (pH = 5.5)
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5.3615994
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LogD (pH = 7.4)
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5.3615994
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Log P
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5.3615994
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Molar Refractivity
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51.5753 cm3
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Polarizability
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20.941212 Å3
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Polar Surface Area
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43.37 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent