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684-10-6 molecular structure
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trifluoroethene-1-sulfonyl fluoride

ChemBase ID: 15294
Molecular Formular: C2F4O2S
Molecular Mass: 164.0788128
Monoisotopic Mass: 163.95551312
SMILES and InChIs

SMILES:
C(=C(F)F)(S(=O)(=O)F)F
Canonical SMILES:
FC(=C(S(=O)(=O)F)F)F
InChI:
InChI=1S/C2F4O2S/c3-1(4)2(5)9(6,7)8
InChIKey:
QARLOMBMXGVKNV-UHFFFAOYSA-N

Cite this record

CBID:15294 http://www.chembase.cn/molecule-15294.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trifluoroethene-1-sulfonyl fluoride
IUPAC Traditional name
trifluoroethenesulfonyl fluoride
Synonyms
Trifluoroethenesufonyl fluoride
CAS Number
684-10-6
MDL Number
MFCD06248848
PubChem SID
160978601
PubChem CID
2769671

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
012894 external link Add to cart Please log in.
Data Source Data ID
PubChem 2769671 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3821743  LogD (pH = 7.4) 1.3821743 
Log P 1.3821743  Molar Refractivity 29.5605 cm3
Polarizability 8.465513 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
53-56°C expand Show data source
Storage Warning
IRRITANT, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
78% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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