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Compound
8,8,9,9,9-Pentafluorononan-1-ol
HCID
11368296
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
OCCCCCCCC(F)(F)C(F)(F)F
InChIKey
WWAFDKXRVSFATD-UHFFFAOYSA-N
Molecular formula
C9H15F5O
Average molar mass
234.21 g/mol
Monoisotopic mass
234.10430591
Names & identifiers
Preferred name
8,8,9,9,9-Pentafluorononan-1-ol
IUPAC
8,8,9,9,9-pentafluorononan-1-ol
Names & synonyms
8,8,9,9,9-pentafluorononan-1-ol
SCHEMBL6852245
8,8,9,9,9-pentafluoro-nonan-1-ol
Database identifiers
PubChem CID
11368296
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
15
Formal charge
0
Complexity
166
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Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
165261
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
944227
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1206562
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1837215
As product
uspto-grants-2004_08
HRID
1838895
As product
uspto-grants-2004_01
HRID
1838896
As reactant
uspto-grants-2004_01
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Compound notes
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