11560224
  -OEChem-05082402432D

 35 36  0     0  0  0  0  0  0999 V2000
    2.1475    2.1450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5149    2.5058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082    0.7776    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9961   -2.3583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    2.1142    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019    1.1142    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019    1.1142    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1340   -1.8858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718    0.1384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019   -1.8858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359   -0.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5359   -0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756    1.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0038   -0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5359   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359   -1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    0.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -1.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0116    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2679   -0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2679   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    1.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4858    1.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899    1.7202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940    0.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929   -0.4636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491    0.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002   -1.7187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491   -2.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019   -2.5058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8049   -0.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  1  0  0  0  0
  6 23  1  0  0  0  0
  7 26  1  0  0  0  0
  8 26  1  0  0  0  0
  9 26  1  0  0  0  0
 10 25  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 25  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 22  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 23  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 24  2  0  0  0  0
 20 26  1  0  0  0  0
 21 33  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11560224

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
548

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIcAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHwAQAAAADAjBmBQwwIPAAACIAiVSUACCAAAhAgAIiAAIZMgIICLAkZGEIAhglADIyQcQgIAOAACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1<I>H</I>-quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[bis[2,2,2-tris(fluoranyl)ethyl]amino]-4-(trifluoromethyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
ULBPQWIGZUGPHU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
392.05711637

> <PUBCHEM_MOLECULAR_FORMULA>
C14H9F9N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
392.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=C1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
392.05711637

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
12  18  8
12  25  8
13  17  8
13  19  8
14  17  8
14  18  8
14  20  8
18  21  8
19  21  8
20  24  8
24  25  8

$$$$