F3 - Moligand™ , Gating inhibitor of K ir3.2, CAS No.661-71-2, Gating inhibitor of K ir3.2

CAS: 661-71-2 Cat. No.: F610273 Fórmula: C₄H₄ClF₃ Peso molecular: 144.52 Número CE: 680-697-1 PubChem CID: 79091

GRADE & PURITY Moligand™

Synonyms

1-Chloro-1,2,2-trifluorocyclobutane|661-71-2|Cyclobutane, 1-chloro-1,2,2-trifluoro-|1-Ctfcb|GTPL2400|SCHEMBL3123282|DTXSID40984597|ZZQYDYODFHABLC-UHFFFAOYSA-N|MFCD00042139|AKOS006230600|FT-0607576|Q27077273

Storage

Room temperature

Specifications

Sinónimos

1-Chloro-1,2,2-trifluorocyclobutane | 661-71-2 | Cyclobutane, 1-chloro-1,2,2-trifluoro- | 1-Ctfcb | GTPL2400 | SCHEMBL3123282 | DTXSID40984597 | ZZQYDYODFHABLC-UHFFFAOYSA-N | MFCD00042139 | AKOS006230600 | FT-0607576 | Q27077273

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

GATING INHIBITOR

Mecanismo de ação

Gating inhibitor of K ir3.2

Nomes e identificadores

Sorrisos canónicos

C1CC(C1(F)F)(F)Cl

IUPAC Name

1-Chloro-1,2,2-trifluorocyclobutane

InChIKey

ZZQYDYODFHABLC-UHFFFAOYSA-N

INCHI

1S/C4H4ClF3/c5-3(6)1-2-4(3,7)8/h1-2H2

SMILES isoméricas

C1CC(C1(F)F)(F)Cl

PubChem CID

79091

Peso molecular

144.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Organochloride - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• 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.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

KCNJ6 Tchem G protein-activated inward rectifier potassium channel 2 (0 Activities)

Discover Target: KCNJ6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriedades químicas e físicas

• Ponto de ebulição (°C): 81°
• Peso molecular: 144.520 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 143.995 Da
• Monoisotopic Mass: 143.995 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 114.000
• 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