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677-67-8 molecular structure
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2,2-difluoro-2-(fluorosulfonyl)acetyl fluoride

ChemBase ID: 9752
Molecular Formular: C2F4O3S
Molecular Mass: 180.0782128
Monoisotopic Mass: 179.95042774
SMILES and InChIs

SMILES:
FS(=O)(=O)C(C(=O)F)(F)F
Canonical SMILES:
FC(=O)C(S(=O)(=O)F)(F)F
InChI:
InChI=1S/C2F4O3S/c3-1(7)2(4,5)10(6,8)9
InChIKey:
YIHXQSQQJBEAKK-UHFFFAOYSA-N

Cite this record

CBID:9752 http://www.chembase.cn/molecule-9752.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-difluoro-2-(fluorosulfonyl)acetyl fluoride
IUPAC Traditional name
2,2-difluoro-2-(fluorosulfonyl)acetyl fluoride
Synonyms
2-(Fluorosulfonyl)difluoroacetyl fluoride
CAS Number
677-67-8
MDL Number
MFCD02093337
PubChem SID
160973059
PubChem CID
69614

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
006229 external link Add to cart Please log in.
Data Source Data ID
PubChem 69614 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7767846  LogD (pH = 7.4) 0.7767846 
Log P 0.7767846  Molar Refractivity 21.9158 cm3
Polarizability 9.019953 Å3 Polar Surface Area 51.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-110°C expand Show data source
Boiling Point
30°C expand Show data source
Density
1.58 expand Show data source
Storage Warning
TOXIC BY INHALATION, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
true 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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