Electrostatic potential surface for M038
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)2-CF3
Molecular Formula C4HF9
Chemical Group Alkane
Anaesthetic Type Inhalational: Transitional Agent
Chiral Structure No
molfield.org ID M038
CAS Number 375-17-7
ChEMBL (External Link) CHEMBL504358
ChEBI (External Link) -
Drug Bank (External Link) -
ChemSpider (External Link) 2056128
PubChem (External Link) 2775798
Chemicalize.org (External Link) CAS No 375-17-7
SMILES String C(C(C(C(F)F)(F)F)(F)F)(F)(F)F
Molecular Weight (g.mol-1) 220.037
In Vivo Activity Data
Immobility: MAC Rat (atm)3.36 ± 0.54 (n=6)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Convulsant: Rat ED50 (atm)0.75 ± 0.11 (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°C0.0052 ± 0.0003 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Olive Oil / Gas Partition Coeff. at 37°C4.12 ± 0.09 (n=4)Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Blood / Gas Partition Coeff. at 37°C0.03 ± 0.002
Vapour Pressure at 20°C (atm)1.58Eger EI II, Liu J, Koblin DD, et al. Anesth Analg 1994;79:245-51
Calculated Molecular Properties
van der Waals Volume 125 Å3 
van der Waals Surface Area 166 Å2 
Solvent Accessible Volume 437 Å3(based on a 1.4Å probe)
Solvent Accessible Surface Area 301 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