Electrostatic potential surface for M141
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 CHF2-(CF2)5-CH2OH
Molecular Formula C7H4F12O
Chemical Group Alcohol
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M141
CAS Number 335-99-9
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 60958
PubChem (External Link) 67639
Chemicalize.org (External Link) CAS No 335-99-9
SMILES String C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Molecular Weight (g.mol-1) 332.087
In Vivo Activity Data
Immobility: MAC Rat (atm)0.0000785 ± 0.0000341 (n=12)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Physical Properties
Saline / Gas Partition Coeff. at 37°C165 ± 26 (n=4)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Olive Oil / Gas Partition Coeff. at 37°C51900 ± 5500 (n=4)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Octanol / Gas Partition Coeff. at 37°C491000 ± 6000 (n=4)Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Vapour Pressure at 20°C (atm)0.00033Eger EI II, Ionescu P, Laster MJ, et al. Anesth Analg 1999;88:867-76
Calculated Molecular Properties
van der Waals Volume 200 Å3 
van der Waals Surface Area 248 Å2 
Solvent Accessible Volume 625 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 399 Å2(based on a 1.4Å probe)
Notes
Low activity alcohol
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