Electrostatic potential surface for M123
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-CH2OH
Molecular Formula C3H3F5O
Chemical Group Alcohol
Anaesthetic Type Alcohol
Chiral Structure No
molfield.org ID M123
CAS Number 422-0-59
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 9488
PubChem (External Link) 9872
Chemicalize.org (External Link) CAS No 422-0-59
SMILES String FC(C(CO)(F)F)(F)F
Molecular Weight (g.mol-1) 150.048
In Vivo Activity Data
Immobility: MAC Rat (atm)0.00053 ± 0.000027 (n=8)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Physical Properties
Saline / Gas Partition Coeff. at 37°C178 ± 5 (n=3)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Olive Oil / Gas Partition Coeff. at 37°C391 ± 7 (n=4)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Octanol / Gas Partition Coeff. at 37°C3400 ± 220 (n=4)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Vapour Pressure at 20°C (atm)0.042Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Calculated Molecular Properties
van der Waals Volume 97 Å3 
van der Waals Surface Area 136 Å2 
Solvent Accessible Volume 362 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 262 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