Electrostatic potential surface for M100
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-C•HCl-CF3
Molecular Formula C3HCl2F5O
Chemical Group Ether
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure Yes :    shown
molfield.org ID M100
CAS Number -
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 2720020
PubChem (External Link) 3478954
Chemicalize.org (External Link) -
SMILES String C(OC(C(F)(F)F)Cl)(F)(F)Cl
Molecular Weight (g.mol-1) 218.938
IUPAC Name2-Chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
In Vivo Activity Data
Immobility: MAC Rat (atm)0.0486 ± 0.216 (n=4)Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.0519Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Olive Oil / Gas Partition Coeff. at 37°C76.5Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Vapour Pressure at 20°C (atm)0.29Koblin DD, Laster MJ, Ionescu P, et al. Anesth Analg 1999;88:1161-7
Calculated Molecular Properties
van der Waals Volume 119 Å3 
van der Waals Surface Area 167 Å2 
Solvent Accessible Volume 450 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 315 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