
 CHEMBL488069

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.9445    3.0205   -1.2445 C   0  0  0  0  0
    2.3636    3.0749   -0.8793 N   0  0  0  0  0
    2.5314    3.9576    0.2795 C   0  0  0  0  0
    2.8503    1.7105   -0.6011 C   0  0  0  0  0
    4.3411    1.6302   -0.3418 C   0  0  0  0  0
    4.8855    1.5499    0.9501 C   0  0  0  0  0
    6.2700    1.5783    1.1520 C   0  0  0  0  0
    7.1473    1.6482    0.0612 C   0  0  0  0  0
    6.6106    1.6937   -1.2332 C   0  0  0  0  0
    5.2269    1.6933   -1.4309 C   0  0  0  0  0
    8.6406    1.6982    0.2635 C   0  0  0  0  0
    9.2766    0.6346   -0.3011 F   0  0  0  0  0
    9.2060    2.8077   -0.2877 F   0  0  0  0  0
    9.0139    1.7020    1.5737 F   0  0  0  0  0
    4.0998    1.5809    2.0788 O   0  0  0  0  0
    3.4262    0.4350    2.4401 C   0  0  0  0  0
    2.3334    0.6359    3.2886 C   0  0  0  0  0
    1.5575   -0.4466    3.7102 C   0  0  0  0  0
    1.8835   -1.7404    3.2908 C   0  0  0  0  0
    2.9877   -1.9422    2.4563 C   0  0  0  0  0
    3.7617   -0.8575    2.0330 C   0  0  0  0  0
    0.9679   -3.1265    3.7636 Cl  0  0  0  0  0
    0.2089   -0.1161    4.7383 Cl  0  0  0  0  0
    0.7992    2.4062   -2.1396 H   0  0  0  0  0
    0.5696    4.0206   -1.4873 H   0  0  0  0  0
    0.3261    2.6082   -0.4384 H   0  0  0  0  0
    2.1034    4.9455    0.0762 H   0  0  0  0  0
    3.5902    4.1313    0.4952 H   0  0  0  0  0
    2.0504    3.5570    1.1790 H   0  0  0  0  0
    2.6501    1.0753   -1.4756 H   0  0  0  0  0
    2.2788    1.2549    0.2132 H   0  0  0  0  0
    6.6587    1.5634    2.1689 H   0  0  0  0  0
    7.2715    1.7576   -2.0974 H   0  0  0  0  0
    4.8339    1.7721   -2.4436 H   0  0  0  0  0
    2.0833    1.6452    3.6077 H   0  0  0  0  0
    3.2522   -2.9458    2.1300 H   0  0  0  0  0
    4.6168   -1.0443    1.3889 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 11 14  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL488069

>  <PubChem CID>
9947172

>  <Formula>
C16H14Cl2F3NO

>  <Molecular Weight>
364.189000

>  <IUPAC Name>
1-[2-(3,4-dichlorophenoxy)-4-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine

>  <XlogP>
5.400

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CC1=C(C=C(C=C1)C(F)(F)F)OC2=CC(=C(C=C2)Cl)Cl

>  <Isomeric SMILES>
CN(C)CC1=C(C=C(C=C1)C(F)(F)F)OC2=CC(=C(C=C2)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C16H14Cl2F3NO/c1-22(2)9-10-3-4-11(16(19,20)21)7-15(10)23-12-5-6-13(17)14(18)8-12/h3-8H,9H2,1-2H3

>  <InChI Key>
AAQZZAVVFRIEOD-UHFFFAOYSA-N

