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tert-butyl N-[4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate

HCID 60043799
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

3 records
New reaction record
HRID 155602 reaction equation
HRID 155602As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 183288 reaction equation
HRID 183288As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 187993 reaction equation
HRID 187993As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes