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4-(trifluoromethyl)pyrrolidin-2-one - 97%, high purity , CAS No.664304-83-0
Discover 4-(trifluoromethyl)pyrrolidin-2-one by Aladdin Scientific in 97% for only $128.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(Trifluoromethyl)pyrrolidin-2-one | 664304-83-0 | 4-(TRIFLUOROMETHYL)-2-PYRROLIDINONE | MFCD20275329 | 2-Pyrrolidinone, 4-(trifluoromethyl)- | SCHEMBL1872409 | AMY34903 | AKOS024124980 | SB21928 | AS-51469 | SY100268 | CS-0051128 | EN300-206384 | P12746 | A852580 | F2147-2972 | Z14860
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidones
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine-2-ones
Alternative Parents
Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
2-pyrrolidone - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine 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
4-(trifluoromethyl)pyrrolidin-2-one
INCHI
InChI=1S/C5H6F3NO/c6-5(7,8)3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10)
InChIKey
KXAVNCLUOSJVJV-UHFFFAOYSA-N
Smiles
C1C(CNC1=O)C(F)(F)F
Isomeric SMILES
C1C(CNC1=O)C(F)(F)F
PubChem CID
67195107
Molecular Weight
153.104
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
153.100 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
153.04 Da
Monoisotopic Mass
153.04 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
153.000
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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