Electrostatic potential surface for M097
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-CF2-CCl2F
Molecular Formula C3HCl2F5O
Chemical Group Ether
Anaesthetic Type Inhalational: Transitional Agent
Chiral Structure No
molfield.org ID M097
CAS Number -
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) -
PubChem (External Link) -
Chemicalize.org (External Link) -
SMILES String C(C(OC(F)F)(F)F)(Cl)(Cl)F
Molecular Weight (g.mol-1) 218.938
In Vivo Activity Data
Immobility: MAC Rat (atm)0.0901 ± 0.0134 (n=4)Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.0851Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Olive Oil / Gas Partition Coeff. at 37°C110Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Vapour Pressure at 20°C (atm)0.19Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Calculated Molecular Properties
van der Waals Volume 120 Å3 
van der Waals Surface Area 165 Å2 
Solvent Accessible Volume 439 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 309 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