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3,3-difluoro-8-azabicyclo[3.2.1]octane hydrochloride - 97%, high purity , CAS No.1254104-06-7
Basic Description
Synonyms
3,3-difluoro-8-azabicyclo[3.2.1]octane hydrochloride | 1254104-06-7 | 3,3-Difluoro-8-azabicyclo[3.2.1]octane HCl | 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride | 8-Azabicyclo[3.2.1]octane, 3,3-difluoro-, hydrochloride (1:1) | 3,3-Difluoro-8-azabicyclo-[3.2.
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tropane alkaloids
Alternative Parents
Piperidines Pyrrolidines Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tropane alkaloid - Piperidine - Pyrrolidine - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alkyl halide - Amine - Hydrochloride - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride
INCHI
InChI=1S/C7H11F2N.ClH/c8-7(9)3-5-1-2-6(4-7)10-5;/h5-6,10H,1-4H2;1H
InChIKey
NGTCPVASXFKEQR-UHFFFAOYSA-N
Smiles
C1CC2CC(CC1N2)(F)F.Cl
Isomeric SMILES
C1CC2CC(CC1N2)(F)F.Cl
PubChem CID
57416927
Molecular Weight
183.63
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.630 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
183.063 Da
Monoisotopic Mass
183.063 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
133.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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