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2-(2,5-difluorophenyl)pyrrolidine - 97%, high purity , CAS No.886503-15-7
Basic Description
Synonyms
2-(2,5-Difluorophenyl)Pyrrolidine | 886503-15-7 | MFCD05189458 | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine | 2-(2,5-Difluoro-phenyl)-pyrrolidine | MFCD07772701 | 4IS | SCHEMBL933161 | DTXSID60640820 | NCXSNNVYILYEBC-UHFFFAOYSA-N | BCP32504 | AKOS000176255 | AKOS016843379 | SB45972 | A
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Fluorobenzenes Aralkylamines Aryl fluorides Pyrroles Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Azacycle - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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-(2,5-difluorophenyl)pyrrolidine
INCHI
InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey
NCXSNNVYILYEBC-UHFFFAOYSA-N
Smiles
C1CC(NC1)C2=C(C=CC(=C2)F)F
Isomeric SMILES
C1CC(NC1)C2=C(C=CC(=C2)F)F
Molecular Weight
183.202
Reaxy-Rn
19754046
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19754046&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.200 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
183.086 Da
Monoisotopic Mass
183.086 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
174.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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