Molecular Details
DICL_CP_0310224
- 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310224
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
10 9 0 0 0 0 0 0 0 0999 V2000
0.3412 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7568 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1725 0...
Experimental Data
Activity Data
Target Ion Channel
Intermediate conductance calcium-activated potassium channel protein 4
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 1030000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−100 mV mV
Temperature
18 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
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