Electrostatic potential surface for M003
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 CH2F2
Molecular Formula CH2F2
Chemical Group Alkane
Anaesthetic Type Inhalational: Conventional Agent
Chiral Structure No
molfield.org ID M003
CAS Number 75-10-5
ChEMBL (External Link) CHEMBL115186
ChEBI (External Link) CHEBI:47855
Drug Bank (External Link) -
ChemSpider (External Link) 6105
PubChem (External Link) 6345
Chemicalize.org (External Link) CAS No 75-10-5
SMILES String C(F)F
Molecular Weight (g.mol-1) 52.0235
In Vivo Activity Data
Immobility: MAC Rat [Pa/PI Corrected] (atm)0.6 (n=5)Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Immobility: MAC Rat (atm)0.72 ± 0.05 (n=5)Eger EI II and Laster MJ. Anesth Analg 2001;92:1477-82
Physical Properties
Saline / Gas Partition Coeff. at 37°C1.08 ± 0.03 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Olive Oil / Gas Partition Coeff. at 37°C2.24 ± 0.03 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Octanol / Gas Partition Coeff. at 37°C2.43
Vapour Pressure at 20°C (atm)13.6Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Calculated Molecular Properties
van der Waals Volume 37 Å3 
van der Waals Surface Area 63 Å2 
Solvent Accessible Volume 197 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 167 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