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883499-32-9 molecular structure
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2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

ChemBase ID: 11964
Molecular Formular: C8H2F16O3S
Molecular Mass: 482.1391312
Monoisotopic Mass: 481.94691644
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

Cite this record

CBID:11964 http://www.chembase.cn/molecule-11964.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
IUPAC Traditional name
2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Synonyms
1H,1H-Heptafluorobutyl nonafluorobutanesulfonate
1H,1H-Perfluorobutyl nonaflate
1H,1H-Heptafluorobutyl nonafluorobutane sulphonate 97%
CAS Number
883499-32-9
MDL Number
MFCD04038309
PubChem SID
160975271
PubChem CID
2782371

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2782371 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3615994  LogD (pH = 7.4) 5.3615994 
Log P 5.3615994  Molar Refractivity 51.5753 cm3
Polarizability 20.941212 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
TOXIC expand Show data source
Toxic expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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