Electrostatic potential surface for M126
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 CF3-(CF2)2-CH2OH
Molecular Formula C4H3F7O
Chemical Group Alcohol
Anaesthetic Type Alcohol
Chiral Structure No
molfield.org ID M126
CAS Number 375-01-9
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 9393
PubChem (External Link) 9776
Chemicalize.org (External Link) CAS No 375-01-9
SMILES String FC(C(C(CO)(F)F)(F)F)(F)F
Molecular Weight (g.mol-1) 200.055
In Vivo Activity Data
Immobility: MAC Rat (atm)0.0004 ± 0.000047 (n=10)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Physical Properties
Saline / Gas Partition Coeff. at 37°C54.2 ± 3 (n=4)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Olive Oil / Gas Partition Coeff. at 37°C791 ± 46 (n=4)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Octanol / Gas Partition Coeff. at 37°C8260 ± 340 (n=4)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Calculated Molecular Properties
van der Waals Volume 118 Å3 
van der Waals Surface Area 168 Å2 
Solvent Accessible Volume 433 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 301 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