Electrostatic potential surface for M088S
This anaesthetic has more than one structural configuration. An example low energy conformer is shown.
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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 CHF2-O-C•HCl-CF3
Molecular Formula C3H2ClF5O
Chemical Group Ether
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure Yes :  S-Isomer
molfield.org ID M088S
CAS Number 133098-05-2
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SMILES String {S}C(Cl)(OC(F)F)C(F)(F)F
Molecular Weight (g.mol-1) 184.493
In Vivo Activity Data
Immobility: MAC Rat (atm)0.0144 ± 0.0012 (n=6)Eger EI II, Koblin DD, Laster MJ, et al. Anesth Analg 1997;85:188-92
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.588 ± 0.043 (n=6)Eger EI II, Koblin DD, Laster MJ, et al. Anesth Analg 1997;85:188-92
Olive Oil / Gas Partition Coeff. at 37°C89.7 ± 2.9 (n=9)Eger EI II, Koblin DD, Laster MJ, et al. Anesth Analg 1997;85:188-92
Octanol / Gas Partition Coeff. at 37°C137 ± 7 (n=6)Eger EI II, Koblin DD, Laster MJ, et al. Anesth Analg 1997;85:188-92
Calculated Molecular Properties
van der Waals Volume 108 Å3 
van der Waals Surface Area 151 Å2 
Solvent Accessible Volume 406 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 290 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