Electrostatic potential surface for M162
This anaesthetic has more than one structural configuration. An example low energy conformer is shown.
Surface View:   On  Off
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 1-chloro-1,2,2,3-tetrafluoro-3-methoxycyclopropane
Molecular Formula C4H3ClF4O
Chemical Group Ether
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure Yes :    shown
molfield.org ID M162
CAS Number 56689-41-9
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 38279
PubChem (External Link) 41967
Chemicalize.org (External Link) CAS No 56689-41-9
SMILES String C1(C(C1(OC)F)(F)F)(F)Cl
Molecular Weight (g.mol-1) 178.513
IUPAC Name1-Chloro-1,2,2,3-tetrafluoro-3-methoxycyclopropane
In Vivo Activity Data
Immobility: MAC Dog (atm)0.0184 ± 0.0021 (n=10)Munson ES, Schick LM, Chapin JC, et al. Anesthesiology 1979; 51:545-7
Physical Properties
Olive Oil / Gas Partition Coeff. at 37°C124Munson ES, Schick LM, Chapin JC, et al. Anesthesiology 1979; 51:545-7
Blood / Gas Partition Coeff. at 37°C1.7Munson ES, Schick LM, Chapin JC, et al. Anesthesiology 1979; 51:545-7
Calculated Molecular Properties
van der Waals Volume 117 Å3 
van der Waals Surface Area 157 Å2 
Solvent Accessible Volume 423 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 296 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