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 EC: 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

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

GATING INHIBITOR

Mecanismo de acción

Gating inhibitor of K ir3.2

Nombres e identificadores

Sonrisas canónicas

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

Isómeros SMILES

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

PubChem CID

79091

Peso molecular

144.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (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)

Propiedades químicas y físicas

• Punto de ebullición (°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