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6-(trifluoromethyl)piperidin-2-one - 97%, high purity , CAS No.1394040-82-4

COA

Grade & Purity:

≥97%

Cas Number: 1394040-82-4
Molecular Weight: 167.13
PubChem CID: 57367082

In stock

Item Number

P628881

Grouped product items
SKU	Size	Availability	Price
P628881-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90
P628881-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$281.90
P628881-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$468.90
P628881-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$702.90
P628881-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,516.90

Basic Description

Synonyms	6-(trifluoromethyl)piperidin-2-one \| 1394040-82-4 \| SCHEMBL22833601 \| 6-(Trifluoromethyl)piperidine-2-one \| AT31400 \| CS-0261407 \| EN300-78403
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinones
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinones
Alternative Parents	Delta lactams Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Delta-lactam - Piperidinone - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	6-(trifluoromethyl)piperidin-2-one
INCHI	InChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h4H,1-3H2,(H,10,11)
InChIKey	DIJXEGUOBRBICZ-UHFFFAOYSA-N
Smiles	C1CC(NC(=O)C1)C(F)(F)F
Isomeric SMILES	C1CC(NC(=O)C1)C(F)(F)F
PubChem CID	57367082
Molecular Weight	167.13

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	167.130 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	167.056 Da
Monoisotopic Mass	167.056 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	166.000
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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