Electrostatic potential surface for M007
This anaesthetic has a single low-energy conformer.
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Surface view shows the electrostatic potential of the structure 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 CBr2F2
Molecular Formula CBr2F2
Chemical Group Alkane
Anaesthetic Type Inhalational: Transitional Agent
Chiral Structure No
molfield.org ID M007
CAS Number 75-61-6
ChEMBL (External Link) CHEMBL499553
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 6142
PubChem (External Link) 6382
Chemicalize.org (External Link) CAS No 75-61-6
SMILES String C(Br)(Br)(F)F
Molecular Weight (g.mol-1) 209.816
In Vivo Activity Data
Immobility: MAC Rat (atm)0.11 ± 0.01 (n=4)Koblin DD, Chortkoff BS, Laster MJ, et al. Anesth Analg 1994;79:1043-8
Convulsant: Rat ED50 (atm)0.026 (n=2)Eger EI II, Koblin DD, Sonner J, et al. Anesth Analg 1999;88:884-92
Physical Properties
Saline / Gas Partition Coeff. at 37°C0.219Koblin DD, Chortkoff BS, Laster MJ, et al. Anesth Analg 1994;79:1043-8
Olive Oil / Gas Partition Coeff. at 37°C61.9Koblin DD, Chortkoff BS, Laster MJ, et al. Anesth Analg 1994;79:1043-8
Vapour Pressure at 20°C (atm)0.82Koblin DD, Chortkoff BS, Laster MJ, et al. Anesth Analg 1994;79:1043-8
Calculated Molecular Properties
van der Waals Volume 75 Å3 
van der Waals Surface Area 104 Å2 
Solvent Accessible Volume 300 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 231 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