Marvin  06160817342D          

 10  9  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  9  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  9  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:6015

> <NAME>
isoflurane

> <STAR>
3

> <SYNONYM>
Isoflurane; 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether

> <IUPAC_NAME>
2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane

> <INN>
isofluranum; isoflurano; isoflurane

> <BRAND_NAME>
Forene; Forane; Ethane; Aerrane

> <FORMULA>
C3H2ClF5O

> <MASS>
184.49210

> <MONOISOTOPIC_MASS>
183.97143

> <CHARGE>
0

> <SMILES>
FC(F)OC(Cl)C(F)(F)F

> <INCHI>
InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H

> <INCHIKEY>
PIWKPBJCKXDKJR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
26675-46-7

> <CHEMIDPLUS>
26675-46-7

> <DRUGBANK_ACCESSION>
DB00753

> <KEGG_COMPOUND_ACCESSION>
C07518

> <KEGG_DRUG_ACCESSION>
D00545

> <NIST_CHEMISTRY_WEBBOOK>
26675-46-7

> <WIKIPEDIA_ACCESSION>
Isoflurane

$$$$