Name: 4-(trifluoromethoxy)cyclohexan-1-one - ≥97% , CAS No.2227206-47-3
SKU: C632250
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Klasse	Alkyl halides
Subclass	Halomethanes
Intermediate Tree Nodes	Not available
Direct Parent	Trihalomethanes
Alternative Parents	Cyclic ketones Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Trihalomethane - Cyclic ketone - Ketone - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl fluoride - Aliphatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	182.140 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	182.055 Da
Monoisotopic Mass	182.055 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	166.000
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

Lösungsrechner

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Bewertungen

Kanonisches Lächeln	C1CC(=O)CCC1OC(F)(F)F
IUPAC Name	4-(trifluoromethoxy)cyclohexan-1-one
InChIKey	SHUOFWYUHNSVHO-UHFFFAOYSA-N
INCHI	1S/C7H9F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h6H,1-4H2
Isomere SMILES	C1CC(=O)CCC1OC(F)(F)F
Alternative CAS-Nummer	2227206-47-3
PubChem CID	134819025
Molekulargewicht	182.14

4-(trifluoromethoxy)cyclohexan-1-one - ≥97% , CAS No.2227206-47-3

Specifications