432824
  -OEChem-04262420452D

 37 38  0     1  0  0  0  0  0999 V2000
    2.3660   -1.7010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9330    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    1.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    2.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  2  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
432824

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByIYAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHwAAAAAADDzhmBYyAIMABACAAiBCAAACAAAgAAAIiAAICIgKJiKAsRmHMAAkwAGYqAeQwOAOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-isopropyl-2-[3-(trifluoromethyl)phenyl]morpholine

> <PUBCHEM_IUPAC_CAS_NAME>
4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine

> <PUBCHEM_IUPAC_NAME>
4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-isopropyl-2-[3-(trifluoromethyl)phenyl]morpholine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
FVYUQFQCEOZYHZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.2

> <PUBCHEM_EXACT_MASS>
273.13404868

> <PUBCHEM_MOLECULAR_FORMULA>
C14H18F3NO

> <PUBCHEM_MOLECULAR_WEIGHT>
273.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N1CCOC(C1)C2=CC(=CC=C2)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N1CCOC(C1)C2=CC(=CC=C2)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.13404868

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  14  8
11  15  8
14  16  8
15  17  8
16  18  8
17  18  8
7  11  3

$$$$