Electrostatic potential surface for M010
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 CH3-CH2F
Molecular Formula C2H5F
Chemical Group Alkane
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M010
CAS Number 353-36-6
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 9243
PubChem (External Link) 9620
Chemicalize.org (External Link) CAS No 353-36-6
SMILES String C(F)C
Molecular Weight (g.mol-1) 48.0597
In Vivo Activity Data
Immobility: MAC Rat (atm)0.244 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.93 ± 0.02 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Olive Oil / Gas Partition Coeff. at 37°C4.91 ± 0.07 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Octanol / Gas Partition Coeff. at 37°C6.29
Vapour Pressure at 20°C (atm)6.45Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Calculated Molecular Properties
van der Waals Volume 48 Å3 
van der Waals Surface Area 81 Å2 
Solvent Accessible Volume 236 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 193 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