132317355
  -OEChem-06192423282D

 24 25  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317355

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
264

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIYAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHwAAAAAADADBmAwwAIMAAACIAiFSEACCAAAgAAAIiAAIBMgIICKAkRGEIAhghgCIiIcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(5,6-difluoroisoindolin-2-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(5,6-difluoro-1,3-dihydroisoindol-2-yl)-2-propen-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(5,6-difluoro-1,3-dihydroisoindol-2-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_NAME>
1-(5,6-difluoro-1,3-dihydroisoindol-2-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[5,6-bis(fluoranyl)-1,3-dihydroisoindol-2-yl]prop-2-en-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(5,6-difluoroisoindolin-2-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9F2NO/c1-2-11(15)14-5-7-3-9(12)10(13)4-8(7)6-14/h2-4H,1,5-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
IPQCNCIOSIHRQB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
209.06522023

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9F2NO

> <PUBCHEM_MOLECULAR_WEIGHT>
209.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)N1CC2=CC(=C(C=C2C1)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)N1CC2=CC(=C(C=C2C1)F)F

> <PUBCHEM_CACTVS_TPSA>
20.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
209.06522023

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
12  13  8
7  8  8
7  9  8
8  10  8
9  12  8

$$$$
