157919
  -OEChem-04262400032D

 36 38  0     1  0  0  0  0  0999 V2000
    4.2690   -3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6186   -0.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302   -0.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1257   -2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1257   -1.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302   -3.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6186   -2.8640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    4.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    4.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  6  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 17  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
157919

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
277

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMQAAAAAAAAAAAAAAAAAAAYAAAAA8QAAAAAAAAGABAAAAHwAQAAAADBThmA4wBoLABACAAiBCAAACCAAgIAAIiIAOCIgPJiKEMBqHOCCm0BGaqAeAwLAOgAABAAAYAAAAAAIAADAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-2-[(7-fluoroindan-4-yl)oxymethyl]morpholine

> <PUBCHEM_IUPAC_CAS_NAME>
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]morpholine

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>)-2-[(7-fluoro-2,3-dihydro-1<I>H</I>-inden-4-yl)oxymethyl]morpholine

> <PUBCHEM_IUPAC_NAME>
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]morpholine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-2-[(7-fluoranyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]morpholine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-2-[(7-fluoroindan-4-yl)oxymethyl]morpholine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HTODIQZHVCHVGM-JTQLQIEISA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
251.13215698

> <PUBCHEM_MOLECULAR_FORMULA>
C14H18FNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
251.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=C(C=CC(=C2C1)F)OCC3CNCCO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=C(C=CC(=C2C1)F)OC[C@@H]3CNCCO3

> <PUBCHEM_CACTVS_TPSA>
30.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
251.13215698

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  6
12  17  8
16  18  8
17  18  8
6  12  8
6  9  8
9  16  8

$$$$