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Compound
tert-butyl N-[4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
HCID
60043799
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)(C)OC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CN
InChIKey
MNCZFZJFVNLIBJ-UHFFFAOYSA-N
Molecular formula
C15H22F2N2O3
Average molar mass
316.34 g/mol
Names & identifiers
Preferred name
tert-butyl N-[4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
IUPAC
tert-butyl N-[4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
Names & synonyms
SCHEMBL8278102
Database identifiers
PubChem CID
60043799
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
84.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
22
Formal charge
0
Complexity
353
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Related reactions
3 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
155602
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
183288
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
187993
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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