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6-Fluoro-2-hydroxy-4-(trifluoromethyl)quinoline, 97% - ≥97%, high purity , CAS No.328956-08-7
Discover 6-Fluoro-2-hydroxy-4-(trifluoromethyl)quinoline, 97% by Aladdin Scientific in ≥97% for only $37.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
328956-08-7 | 6-FLUORO-4-(TRIFLUOROMETHYL)QUINOLIN-2-OL | 6-fluoro-4-(trifluoromethyl)-2(1h)-quinolinone | 6-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one | TD8163 | SCHEMBL1771152 | DTXSID50471761 | WUFRBOSKPZUGIS-UHFFFAOYSA-N | MFCD17015723 | AKOS016005229 | AKOS025402007 | S
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroquinolones
Alternative Parents
Haloquinolines Hydroquinolines Pyridinones Benzenoids Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridinone - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
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
6-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one
INCHI
InChI=1S/C10H5F4NO/c11-5-1-2-8-6(3-5)7(10(12,13)14)4-9(16)15-8/h1-4H,(H,15,16)
InChIKey
WUFRBOSKPZUGIS-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=C1F)C(=CC(=O)N2)C(F)(F)F
Isomeric SMILES
C1=CC2=C(C=C1F)C(=CC(=O)N2)C(F)(F)F
Molecular Weight
231.15
Reaxy-Rn
9488954
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9488954&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
231.150 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
231.031 Da
Monoisotopic Mass
231.031 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
336.000
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
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