Electrostatic potential surface for M037
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)2-CHF2
Molecular Formula C4H2F8
Chemical Group Alkane
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M037
CAS Number 377-36-6
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 61149
PubChem (External Link) 67832
Chemicalize.org (External Link) CAS No 377-36-6
SMILES String C(F)(C(F)F)(C(C(F)F)(F)F)F
Molecular Weight (g.mol-1) 202.046
In Vivo Activity Data
Immobility: MAC Rat [Pa/PI Corrected] (atm)0.052 (n=8)Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Immobility: MAC Rat (atm)0.058 ± 0.016 (n=8)Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.158 ± 0.001 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Olive Oil / Gas Partition Coeff. at 37°C30.4 ± 0.8 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Octanol / Gas Partition Coeff. at 37°C41.3
Blood / Gas Partition Coeff. at 37°C0.44Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Vapour Pressure at 20°C (atm)0.418Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Calculated Molecular Properties
van der Waals Volume 109 Å3 
van der Waals Surface Area 156 Å2 
Solvent Accessible Volume 407 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 290 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