Electrostatic potential surface for M025
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-CF2-CF3
Molecular Formula C3H3F5
Chemical Group Alkane
Anaesthetic Type Inhalational: Transitional Agent
Chiral Structure No
molfield.org ID M025
CAS Number 1814-88-6
ChEMBL (External Link) CHEMBL444176
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 14974
PubChem (External Link) 15747
Chemicalize.org (External Link) CAS No 1814-88-6
SMILES String C(C(C)(F)F)(F)(F)F
Molecular Weight (g.mol-1) 134.048
In Vivo Activity Data
Immobility: MAC Rat (atm)5.55 (n=2)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Convulsant: Rat ED50 (atm)0.96 (n=1)Eger EI II, Koblin DD, Sonner J, et al. Anesth Analg 1999;88:884-92
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.0216 ± 0.0007 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Olive Oil / Gas Partition Coeff. at 37°C2.38 ± 0.05 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Calculated Molecular Properties
van der Waals Volume 90 Å3 
van der Waals Surface Area 127 Å2 
Solvent Accessible Volume 338 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 253 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