Electrostatic potential surface for M098
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 CClF2-O-CH2-CF3
Molecular Formula C3H2ClF5O
Chemical Group Ether
Anaesthetic Type Inhalational: Transitional Agent
Chiral Structure No
molfield.org ID M098
CAS Number -
ChEMBL (External Link) CHEMBL447851
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 2339811
PubChem (External Link) 3082369
Chemicalize.org (External Link) -
SMILES String C(OCC(F)(F)F)(F)(F)Cl
Molecular Weight (g.mol-1) 184.493
IUPAC Name2-[Chloro(difluoro)methoxy]-1,1,1-trifluoroethane
In Vivo Activity Data
Immobility: MAC Rat (atm)0.287 ± 0.049 (n=12)Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.043Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Olive Oil / Gas Partition Coeff. at 37°C25.8Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Vapour Pressure at 20°C (atm)0.52Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Calculated Molecular Properties
van der Waals Volume 106 Å3 
van der Waals Surface Area 156 Å2 
Solvent Accessible Volume 418 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 302 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