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8-(4-(Trifluoromethoxy)-phenoxy)-1-octanol (HCID 22407929)|Huagongshe
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Compound
8-(4-(Trifluoromethoxy)-phenoxy)-1-octanol
HCID
22407929
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
OCCCCCCCCOc1ccc(OC(F)(F)F)cc1
InChIKey
CXIHAIATUAORBW-UHFFFAOYSA-N
Molecular formula
C15H21F3O3
Average molar mass
306.32 g/mol
Names & identifiers
Preferred name
8-(4-(Trifluoromethoxy)-phenoxy)-1-octanol
IUPAC
8-[4-(trifluoromethoxy)phenoxy]octan-1-ol
Names & synonyms
8-(4-(trifluoromethoxy)-phenoxy)-1-octanol
SCHEMBL8955470
Database identifiers
PubChem CID
22407929
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
21
Formal charge
0
Complexity
251
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
36138
As product
uspto-grants-1995_05
HRID
439751
As product
uspto-grants-1996_05
HRID
2152704
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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