Molecular Details
DICL_CP_0311598
- 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311598
PubChem CID
Molecular Formula
C4H3F7O Molecular Weight
200.053 g/mol
Synonyms/Alias
[sevoflurane; 28523-86-6; 1;1;1;3;3;3-Hexafluoro-2-(fluoromethoxy)propane; Sevofluran; Ultane; Sevorane; Sojourn; MR6S4; sevoflo; Sevoflurano; Sevofluranum; Sevofluranum [INN-Latin]; Sevoflurano [INN-...
InChI Key
DFEYYRMXOJXZRJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
IUPAC Name
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
CAS Number
28523-86-6
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
-2.4796 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1499 0.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1161 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: 420000 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
12
Rotatable Bonds
2
logP
2.4232
Complexity
22.958
TPSA (Ų)
9.23
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
0