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1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoroheptan-1-OL (HCID 22277952)|Huagongshe
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Compound
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoroheptan-1-OL
HCID
22277952
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIKey
XXFOZACSOFLKAI-UHFFFAOYSA-N
Molecular formula
C7H4F12O
Average molar mass
332.09 g/mol
Names & identifiers
Preferred name
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoroheptan-1-OL
IUPAC
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptan-1-ol
Names & synonyms
SCHEMBL303732
1,1,2,2,3,3,4,4,5,5,6,6-DODECAFLUOROHEPTAN-1-OL
Database identifiers
PubChem CID
22277952
Properties
Computed structural properties
XLogP
4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
372
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Related reactions
9 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
116059
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
234584
As reactant
uspto-grants-1997_01
HRID
413614
As reactant
uspto-grants-2003_05
HRID
725687
As reactant
uspto-grants-1998_01
HRID
725693
As reactant
uspto-grants-1998_01
HRID
743912
As reactant
uspto-grants-1996_09
HRID
743913
As reactant
uspto-grants-1996_09
HRID
1066694
As reactant
uspto-grants-2001_06
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