9794
  CDK     0615221717

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.6500   -0.6740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.4529    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.9760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  8  2  0  0  0  0 
  6  7  1  0  0  0  0 
  8  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:192463

> <NAME>
TRIFLUOROACETIC ACID ETHYL ESTER

> <STAR>
2

> <IUPAC_NAME>
ethyl 2,2,2-triluoroacetate

> <FORMULA>
C4H5F3O2

> <MASS>
142.077

> <MONOISOTOPIC_MASS>
142.02416

> <CHARGE>
0

> <SMILES>
FC(F)(F)C(OCC)=O

> <INCHI>
InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

> <INCHIKEY>
STSCVKRWJPWALQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
383-63-1

> <CHEMIDPLUS>
383-63-1

$$$$