43424770
  -OEChem-06192423202D

 28 28  0     0  0  0  0  0  0999 V2000
    2.0000   -3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43424770

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
224

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIYAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHwIQAAAADSvBgFQAAALAAAAIAAEQEAAAAAAAAAAAAIAIAABAAAIAgABEAAAAFgCAAAEQgAAOAAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-[4-(trifluoromethyl)cyclohexyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-[4-(trifluoromethyl)cyclohexyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H13ClF3NO/c10-5-8(15)14-7-3-1-6(2-4-7)9(11,12)13/h6-7H,1-5H2,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
WIZQYCAFBSSKJN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
243.0637762

> <PUBCHEM_MOLECULAR_FORMULA>
C9H13ClF3NO

> <PUBCHEM_MOLECULAR_WEIGHT>
243.65

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CCC1C(F)(F)F)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(CCC1C(F)(F)F)NC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
243.0637762

> <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

$$$$
