Electrostatic potential surface for M163
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-CF2-CH2Br
Molecular Formula C3H3BrF4
Chemical Group Alkane
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M163
CAS Number 679-84-5
ChEMBL (External Link) -
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 62826
PubChem (External Link) 69623
Chemicalize.org (External Link) CAS No 679-84-5
SMILES String C(C(CBr)(F)F)(F)F
Molecular Weight (g.mol-1) 194.954
SynonymsFHD-3, Tebron
In Vivo Activity Data
Immobility: MAC Dog (atm)0.0074 ± 0.0007 (n=6)Merkel G, Eger EI II. Anesthesiology 1963; 24: 346-357
Physical Properties
Olive Oil / Gas Partition Coeff. at 37°C323Merkel G, Eger EI II. Anesthesiology 1963; 24: 346-357
Blood / Gas Partition Coeff. at 37°C5.8Merkel G, Eger EI II. Anesthesiology 1963; 24: 346-357
Vapour Pressure at 20°C (atm)0.116Merkel G, Eger EI II. Anesthesiology 1963; 24: 346-357
Calculated Molecular Properties
van der Waals Volume 97 Å3 
van der Waals Surface Area 129 Å2 
Solvent Accessible Volume 353 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 257 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