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6,6-Difluoro-5-methyl-5-hexenol (HCID 23020172)|Huagongshe
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Compound
6,6-Difluoro-5-methyl-5-hexenol
HCID
23020172
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(CCCCO)=C(F)F
InChIKey
QZRAJMJQLBQKOQ-UHFFFAOYSA-N
Molecular formula
C7H12F2O
Average molar mass
150.17 g/mol
Names & identifiers
Preferred name
6,6-Difluoro-5-methyl-5-hexenol
IUPAC
6,6-difluoro-5-methylhex-5-en-1-ol
Names & synonyms
6,6-difluoro-5-methyl-5-hexenol
SCHEMBL4763379
SCHEMBL4763770
Database identifiers
PubChem CID
23020172
Properties
Computed structural properties
XLogP
2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
10
Formal charge
0
Complexity
117
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Related reactions
4 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
818360
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
832418
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
917365
As reactant
uspto-grants-2007_09
HRID
917400
As product
uspto-grants-2007_09
Compound notes
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