(R)-tert-Butyl (1-(4-fluorobenzyl)pyrrolidin-3-yl)carbamate

HCID 22046331

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)NC1CCN(Cc2ccc(F)cc2)C1
InChIKey: VUCZZAHQRXHDSZ-UHFFFAOYSA-N
Molecular formula: C16H23FN2O2
Average molar mass: 294.36 g/mol
Monoisotopic mass: 294.17435614

Names & identifiers

Preferred name: (R)-tert-Butyl (1-(4-fluorobenzyl)pyrrolidin-3-yl)carbamate
IUPAC: tert-butyl N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate

Names & synonyms

(R)-tert-Butyl (1-(4-fluorobenzyl)pyrrolidin-3-yl)carbamateSCHEMBL4231721VUCZZAHQRXHDSZ-UHFFFAOYSA-NSB49442tert-butyl N-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate[1-(4-fluoro-benzyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID: 22046331

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 349

Related reactions

5 records

New reaction record

HRID 226340As productuspto-grants-2009_07

HRID 226341As reactantuspto-grants-2009_07

HRID 833140As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1212223As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1568038As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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