Electrostatic potential surface for M015
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 CHF2-CF3
Molecular Formula C2HF5
Chemical Group Alkane
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M015
CAS Number 354-33-6
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 9256
PubChem (External Link) 9633
Chemicalize.org (External Link) CAS No 354-33-6
SMILES String C(F)(C(F)F)(F)F
Molecular Weight (g.mol-1) 120.021
In Vivo Activity Data
Immobility: MAC Rat (atm)1.51 (n=5)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.055 ± 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°C1.52 ± 0.01 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Vapour Pressure at 20°C (atm)12.5Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Calculated Molecular Properties
van der Waals Volume 68 Å3 
van der Waals Surface Area 106 Å2 
Solvent Accessible Volume 294 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 228 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