Electrostatic potential surface for M106
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 CH2=CH-O-CH2-CF3
Molecular Formula C4H5F3O
Chemical Group Ether
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M106
CAS Number 406-90-6
ChEMBL (External Link) CHEMBL141446
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 9461
PubChem (External Link) 9844
Chemicalize.org (External Link) CAS No 406-90-6
SMILES String C(COC=C)(F)(F)F
Molecular Weight (g.mol-1) 126.077
IUPAC Name2-Ethenoxy-1,1,1-trifluoroethane
In Vivo Activity Data
Immobility: MAC Rat (atm)0.0422Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Immobility: MAC Dog (atm)0.063Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Immobility: MAC Human (atm)0.034Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Physical Properties
Olive Oil / Gas Partition Coeff. at 37°C46.4 ± 1.1 (n=4)Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Octanol / Gas Partition Coeff. at 37°C61.8 ± 0.8 (n=4)Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Blood / Gas Partition Coeff. at 37°C1.4Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Benzene / Gas Partition Coeff. at 37°C116 ± 7 (n=12)Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Intralipid / Gas Partition Coeff. at 37°C11.7 ± 0.03 (n=4)Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Lecithin / Gas Partition Coeff. at 37°C20 ± 1.7 (n=4)Taheri S, Halsey MJ, Liu J, et al. Anesth Analg 1991;72:627-34
Water / Gas Partition Coeff. at 37°C0.85Steward A, Allott PR, Cowles AL & Mapleson WW. Br J Anaesth 1973;45:282-93
Calculated Molecular Properties
van der Waals Volume 94 Å3 
van der Waals Surface Area 141 Å2 
Solvent Accessible Volume 387 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 284 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