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8,8-difluoro-3-azabicyclo[3.2.1]octane hydrochloride - 97%, high purity , CAS No.1779942-70-9
Discover 8,8-difluoro-3-azabicyclo[3.2.1]octane hydrochloride by Aladdin Scientific in 97% for only $321.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
8,8-difluoro-3-azabicyclo[3.2.1]octane hydrochloride | 1779942-70-9 | 8,8-Difluoro-3-azabicyclo[3.2.1]octane HCl | 8,8-difluoro-3-azabicyclo[3.2.1]octane;hydrochloride | 8,8-Difluoro-3-azabicyclo-[3.2.1]octane hydrochloride | 3-Azabicyclo[3.2.1]octane, 8,8-difluoro
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepanes
Alternative Parents
Piperidines Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azepane - Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
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
8,8-difluoro-3-azabicyclo[3.2.1]octane;hydrochloride
INCHI
InChI=1S/C7H11F2N.ClH/c8-7(9)5-1-2-6(7)4-10-3-5;/h5-6,10H,1-4H2;1H
InChIKey
XYZIFKBGKWQVOP-UHFFFAOYSA-N
Smiles
C1CC2CNCC1C2(F)F.Cl
Isomeric SMILES
C1CC2CNCC1C2(F)F.Cl
PubChem CID
91663918
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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