Molecular Details
DICL_CP_0310238
- 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310238
PubChem CID
Molecular Formula
C3H2ClF5O Molecular Weight
184.491 g/mol
Synonyms/Alias
[isoflurane; 26675-46-7; 1-Chloro-2;2;2-trifluoroethyl difluoromethyl ether; Forane; 2-Chloro-2-(difluoromethoxy)-1;1;1-trifluoroethane; Aerrane; Forene; Isoflurano; IsoFlo; Isofluranum; Compound 469;...
InChI Key
PIWKPBJCKXDKJR-UHFFFAOYSA-N
InChI
InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
IUPAC Name
2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
CAS Number
26675-46-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
12 11 0 0 0 0 0 0 0 0999 V2000
-0.0414 0.5095 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 0.0527 0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6080 -1.239...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 2
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 5100 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−80 mV mV
Temperature
24 °C
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
2
logP
2.3528
Complexity
22.785
TPSA (Ų)
9.23
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
0