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(2-Fluoro-4-hydroxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (HCID 11960041)|Huagongshe
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Compound
(2-Fluoro-4-hydroxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
HCID
11960041
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C(c1ccc(O)cc1F)N1CCCC1CN1CCCC1
InChIKey
HEASFKGJCLYJDL-UHFFFAOYSA-N
Molecular formula
C16H21FN2O2
Average molar mass
292.35 g/mol
Monoisotopic mass
292.15870608
Names & identifiers
Preferred name
(2-Fluoro-4-hydroxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
IUPAC
(2-fluoro-4-hydroxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL1796952
Database identifiers
PubChem CID
11960041
Properties
Computed structural properties
XLogP
2.2
Topological polar surface area
43.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
373
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Related reactions
7 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
180718
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
303227
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1134040
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1140507
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1220034
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1222694
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
2311078
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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Compound notes
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