Electrostatic potential surface for M105
This anaesthetic has more than one structural configuration. An example low energy conformer is shown.
Surface View:   On  Off
Surface view shows the electrostatic potential of the conformer mapped onto the solvent excluded surface, based on a probe of radius 1.4Å. Regions of negative potential are shown in red, positive in blue.
 
Structure Details
Structural Formula CF3-O-C•FH-CF3
Molecular Formula C3HF7O
Chemical Group Ether
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure Yes :    shown
molfield.org ID M105
CAS Number -
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 2056980
PubChem (External Link) 2776667
Chemicalize.org (External Link) -
SMILES String C(OC(C(F)(F)F)F)(F)(F)F
Molecular Weight (g.mol-1) 186.029
IUPAC Name1,1,1,2-Tetrafluoro-2-(trifluoromethoxy)ethane
In Vivo Activity Data
Immobility: MAC Rat (atm)1.96 (n=2)Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.0073Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Olive Oil / Gas Partition Coeff. at 37°C1.78Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Calculated Molecular Properties
van der Waals Volume 104 Å3 
van der Waals Surface Area 151 Å2 
Solvent Accessible Volume 403 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 292 Å2(based on a 1.4Å probe)
All values are mean ± SD, except data labelled with † which are mean ± SEM. Use of this web site assumes acceptance of our Copyright & Licence conditions.
Database Version: 1.09.9     Last Updated: 21st February 2014