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2,2-Difluoro-5-methoxy-1-pentanal oxime (HCID 73664053)|Huagongshe
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Compound
2,2-Difluoro-5-methoxy-1-pentanal oxime
HCID
73664053
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COCCCC(F)(F)C=NO
InChIKey
QNRMSRLGZRVSPE-UHFFFAOYSA-N
Molecular formula
C6H11F2NO2
Average molar mass
167.15 g/mol
Names & identifiers
Preferred name
2,2-Difluoro-5-methoxy-1-pentanal oxime
IUPAC
N-(2,2-difluoro-5-methoxypentylidene)hydroxylamine
Names & synonyms
2,2-difluoro-5-methoxy-1-pentanal oxime
SCHEMBL10658895
Database identifiers
PubChem CID
73664053
Properties
Computed structural properties
XLogP
1.2
Topological polar surface area
41.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
11
Formal charge
0
Complexity
128
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Related reactions
4 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
164924
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
568981
As product
uspto-grants-1988_03
HRID
568982
As reactant
uspto-grants-1988_03
HRID
821029
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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