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tert-Butyl 5-fluorospiro[indoline-3,4'-piperidine]-1'-carboxylate - 96%, high purity

COA

Grade & Purity:

≥96%

PubChem CID: 49760961

In stock

Item Number

T191427

Grouped product items
SKU	Size	Availability	Price	Qty
T191427-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
T191427-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$183.90

Basic Description

Synonyms	167484-91-5 \| TERT-BUTYL 5-FLUOROSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE \| tert-butyl 5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate \| tert-butyl 5-fluorospiro[indoline-3,4/'-piperidine]-1/'-carboxylate \| C17H23FN2O2 \| MPZQIQHRSUIGMT-UHFFFAO
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolines
Intermediate Tree Nodes	Not available
Direct Parent	Indolines
Alternative Parents	Piperidinecarboxylic acids Secondary alkylarylamines Aralkylamines Benzenoids Aryl fluorides Carbamate esters Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroindole - Piperidinecarboxylic acid - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Benzenoid - Carbamic acid ester - Tertiary amine - Secondary amine - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl 5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
INCHI	InChI=1S/C17H23FN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-5-4-12(18)10-13(14)17/h4-5,10,19H,6-9,11H2,1-3H3
InChIKey	MPZQIQHRSUIGMT-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2(CC1)CNC3=C2C=C(C=C3)F

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	306.370 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	306.174 Da
Monoisotopic Mass	306.174 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	427.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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