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3-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride - 97%, high purity , CAS No.1203683-75-3
Basic Description
Synonyms
1203683-75-3 | 3-[4-(trifluoromethyl)phenyl]azetidine hydrochloride | 3-(4-(trifluoromethyl)phenyl)azetidine hydrochloride | MFCD08460709 | 3-[4-(trifluoromethyl)phenyl]azetidine | hydrochloride | SCHEMBL2311977 | GS0580 | AKOS017343967 | SB51365 | AS-834
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Phenylazetidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylazetidines
Alternative Parents
Trifluoromethylbenzenes Aralkylamines Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylazetidine - Trifluoromethylbenzene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Amine - Hydrochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring.
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-[4-(trifluoromethyl)phenyl]azetidine;hydrochloride
INCHI
InChI=1S/C10H10F3N.ClH/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-6-8;/h1-4,8,14H,5-6H2;1H
InChIKey
UFBGPLAKNYFBSB-UHFFFAOYSA-N
Smiles
C1C(CN1)C2=CC=C(C=C2)C(F)(F)F.Cl
Isomeric SMILES
C1C(CN1)C2=CC=C(C=C2)C(F)(F)F.Cl
PubChem CID
67359562
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
237.650 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
237.053 Da
Monoisotopic Mass
237.053 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
190.000
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
2
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