2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether - Moligand™, Reagent grade , Potassium channel subfamily K member 2 opener, CAS No.13838-16-9, Potassium channel subfamily K member 2 opener

CAS: 13838-16-9 Cat. No.: C478686 Molecular Weight: 184.49 EC Number: 237-553-4

GRADE & PURITY Moligand™, Reagent Grade

Synonyms

EN300-123045 | (2RS)-2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane | BRN 1903921 | Anesthetic Compound No. 347 | EINECS 237-553-4 | Methylflurether | ENFLURANE (MART.) | Enfluranum [INN-Latin] | WLN: GYFXFFOYFF | 2-Chloro-1,1,2-trifluoroethyl difluor

Storage

Room temperature

Specifications

Synonyms

EN300-123045 | (2RS)-2-Chloro-1-(difluoromethoxy)-1, 1, 2-trifluoroethane | BRN 1903921 | Anesthetic Compound No. 347 | EINECS 237-553-4 | Methylflurether | ENFLURANE (MART.) | Enfluranum [INN-Latin] | WLN: GYFXFFOYFF | 2-Chloro-1, 1, 2-trifluoroethyl difluor

Specifications & Purity

Moligand™, Reagent grade

Storage

Room temperature

Grade

Moligand™, Reagent Grade

Action Type

POSITIVE MODULATOR

Mechanism of action

Potassium channel subfamily K member 2 opener

Names and Identifiers

• Canonical Smiles: C(C(OC(F)F)(F)F)(F)Cl
• IUPAC Name: 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
• InChIKey: JPGQOUSTVILISH-UHFFFAOYSA-N
• INCHI: 1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
• Isomeric SMILES: C(C(OC(F)F)(F)F)(F)Cl
• Molecular Weight: 184.49
• Reaxy-Rn: 1903921
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903921&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Organooxygen compounds Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound
• Description: 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: organofluorine compound - organochlorine compound - ether

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

Associated Targets(Human)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Canis familiaris (36305 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 184.490 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 183.971 Da
• Monoisotopic Mass: 183.971 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 107.000
• 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