
 CHEMBL543438

 43 44  0  0  0  0  0  0  0  0999 V2000
   -0.7082   -3.6400    1.0100 C   0  0  0  0  0
    0.2261   -4.2076    2.0756 C   0  0  0  0  0
    0.7941   -3.4430    0.8908 C   0  0  0  0  0
    1.1338   -1.9461    1.0397 C   0  0  0  0  0
    2.5959   -1.6985    1.1148 N   0  0  0  0  0
    3.3799   -2.2151   -0.0339 C   0  0  0  0  0
    3.1065   -1.4190   -1.3235 C   0  0  0  0  0
    3.4158    0.0782   -1.1292 C   0  0  0  0  0
    2.6370    0.6015    0.0975 C   0  0  0  0  0
    2.9034   -0.2658    1.3501 C   0  0  0  0  0
    4.9321    0.3450   -1.0278 C   0  0  0  0  0
    5.1516    1.7070   -0.9739 O   0  0  0  0  0
    6.3561    2.3393   -0.9217 C   0  0  0  0  0
    7.5949    1.6503   -0.8931 C   0  0  0  0  0
    8.7939    2.3724   -0.8399 C   0  0  0  0  0
    8.7752    3.7688   -0.8157 C   0  0  0  0  0
    7.5586    4.4525   -0.8447 C   0  0  0  0  0
    6.3557    3.7415   -0.8971 C   0  0  0  0  0
    5.1793    4.4173   -0.9257 F   0  0  0  0  0
    7.5426    5.8083   -0.8223 F   0  0  0  0  0
    9.9406    4.4614   -0.7642 F   0  0  0  0  0
    9.9786    1.7129   -0.8118 F   0  0  0  0  0
    7.6584    0.2960   -0.9155 F   0  0  0  0  0
    0.8376    3.3936    2.3321 Cl  0  0  0  0  0
   -1.1741   -4.5314    0.5400 H   0  0  0  0  0
   -1.3443   -2.9184    1.5674 H   0  0  0  0  0
    0.6236   -5.2379    1.9594 H   0  0  0  0  0
    0.4642   -3.6143    2.9839 H   0  0  0  0  0
    1.0755   -3.9743   -0.0433 H   0  0  0  0  0
    0.6592   -1.5427    1.9627 H   0  0  0  0  0
    0.6738   -1.4115    0.1854 H   0  0  0  0  0
    3.1795   -3.2912   -0.2037 H   0  0  0  0  0
    4.4604   -2.1671    0.2160 H   0  0  0  0  0
    3.7036   -1.8294   -2.1662 H   0  0  0  0  0
    2.0375   -1.5386   -1.5979 H   0  0  0  0  0
    3.0699    0.6248   -2.0349 H   0  0  0  0  0
    2.8902    1.6642    0.3001 H   0  0  0  0  0
    1.5529    0.5770   -0.1335 H   0  0  0  0  0
    3.9675   -0.1693    1.6517 H   0  0  0  0  0
    2.3083    0.1235    2.2053 H   0  0  0  0  0
    5.3714   -0.1394   -0.1335 H   0  0  0  0  0
    5.4194   -0.0631   -1.9405 H   0  0  0  0  0
    0.3818    2.2535    1.7127 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  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 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 16  2  0  0  0
 15 22  1  0  0  0
 16 17  1  0  0  0
 16 21  1  0  0  0
 17 18  2  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL543438

>  <PubChem CID>
10339215

>  <Formula>
C16H19ClF5NO

>  <Molecular Weight>
371.776000

>  <IUPAC Name>
1-(cyclopropylmethyl)-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]piperidine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC1CN2CCC(CC2)COC3=C(C(=C(C(=C3F)F)F)F)F.Cl

>  <Isomeric SMILES>
C1CC1CN2CCC(CC2)COC3=C(C(=C(C(=C3F)F)F)F)F.Cl

>  <InChI Std. ID>
InChI=1S/C16H18F5NO.ClH/c17-11-12(18)14(20)16(15(21)13(11)19)23-8-10-3-5-22(6-4-10)7-9-1-2-9;/h9-10H,1-8H2;1H

>  <InChI Key>
FWYDFWDNCYQWAB-UHFFFAOYSA-N

