Marvin  06260715282D          

  8  7  0  0  0  0            999 V2000
    0.8250   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2375    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2375   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  7  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:5615

> <NAME>
halothane

> <DEFINITION>
A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position.

> <STAR>
3

> <SYNONYM>
Rhodialothan; Phthorothanum; Narcotane; Halothane; Fluothane; bromochlorotrifluoroethane; 2-bromo-2-chloro-1,1,1-trifluoroethane; 2,2,2-trifluoro-1-chloro-1-bromoethane; 1-bromo-1-chloro-2,2,2-trifluoroethane; 1,1,1-trifluoro-2-chloro-2-bromoethane; 1,1,1-trifluoro-2-bromo-2-chloroethane

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

> <FORMULA>
C2HBrClF3

> <MASS>
197.38125

> <MONOISOTOPIC_MASS>
195.89022

> <CHARGE>
0

> <SMILES>
[H]C(Cl)(Br)C(F)(F)F

> <INCHI>
InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H

> <INCHIKEY>
BCQZXOMGPXTTIC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1736947

> <CAS_REGISTRY_NUMBER>
151-67-7

> <GMELIN_REGISTRY_NUMBER>
793752

> <CHEMIDPLUS>
151-67-7

> <DRUGBANK_ACCESSION>
DB01159

> <KEGG_COMPOUND_ACCESSION>
C07515

> <KEGG_DRUG_ACCESSION>
D00542

> <NIST_CHEMISTRY_WEBBOOK>
151-67-7

> <WIKIPEDIA_ACCESSION>
Halothane

> <PUBMED_CITATION>
7519986

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