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1-Ethenesulfonyl-3,3-difluoro-azetidine (HCID 58204154)|Huagongshe
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Compound
1-Ethenesulfonyl-3,3-difluoro-azetidine
HCID
58204154
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
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Basic information
Standard SMILES
C=CS(=O)(=O)N1CC(F)(F)C1
InChIKey
DKCGSAABJSJOHZ-UHFFFAOYSA-N
Molecular formula
C5H7F2NO2S
Average molar mass
183.18 g/mol
Monoisotopic mass
183.01655596
Names & identifiers
Preferred name
1-Ethenesulfonyl-3,3-difluoro-azetidine
IUPAC
1-ethenylsulfonyl-3,3-difluoroazetidine
Names & synonyms
1-Ethenesulfonyl-3,3-difluoro-azetidine
SCHEMBL1485029
Database identifiers
PubChem CID
58204154
Properties
Computed structural properties
XLogP
0.4
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
259
Show all 8
Show all 8 / 8
Related reactions
10 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
145092
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
707844
As product
uspto-grants-2015_11
HRID
708197
As reactant
uspto-grants-2015_11
HRID
1147530
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1190303
As product
uspto-grants-2014_03
HRID
1190655
As reactant
uspto-grants-2014_03
HRID
1849024
As product
uspto-grants-2015_02
HRID
1849375
As reactant
uspto-grants-2015_02
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