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1H,1H-Nonafluoropentylamine - ≥97%, high purity , CAS No.355-27-1
Basic Description
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Organofluorides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Organofluorides
Alternative Parents
Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine 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
2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
INCHI
InChI=1S/C5H4F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1,15H2
InChIKey
SUNUNYBGDFIAME-UHFFFAOYSA-N
Smiles
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N
Isomeric SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N
PubChem CID
2769669
Molecular Weight
249.08
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
87°
Molecular Weight
249.080 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
3
Exact Mass
249.02 Da
Monoisotopic Mass
249.02 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
229.000
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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