Electrostatic potential surface for M095
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-C•BrClF
Molecular Formula C3HBrClF5O
Chemical Group Ether
Anaesthetic Type Inhalational: Transitional Agent
Chiral Structure Yes :    shown
molfield.org ID M095
CAS Number -
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) -
PubChem (External Link) -
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SMILES String C(OC(C(F)(Br)Cl)(F)F)(F)F
Molecular Weight (g.mol-1) 263.389
In Vivo Activity Data
Immobility: MAC Rat (atm)0.015 ± 0.0009 (n=3)Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.137Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Olive Oil / Gas Partition Coeff. at 37°C378Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Vapour Pressure at 20°C (atm)0.164Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Calculated Molecular Properties
van der Waals Volume 124 Å3 
van der Waals Surface Area 169 Å2 
Solvent Accessible Volume 452 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 314 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