
 3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.4593    1.4883   -0.1197 C   0  0  0  0  0
    0.9333    1.5758   -0.0056 C   0  0  0  0  0
    1.6963    0.4158    0.0980 C   0  0  0  0  0
    1.0801   -0.8315    0.0888 C   0  0  0  0  0
   -0.3116   -0.9170   -0.0259 C   0  0  0  0  0
   -1.1020    0.2399   -0.1317 C   0  0  0  0  0
   -2.5628    0.1346   -0.2506 C   0  0  0  0  0
   -3.1834   -1.0568   -0.2894 N   0  0  0  0  0
   -4.4890   -0.7716   -0.3764 N   0  0  0  0  0
   -4.7483    0.5642   -0.4382 C   0  0  0  0  0
   -3.5211    1.1827   -0.3441 C   0  0  0  0  0
   -6.1362    1.0785   -0.5683 C   0  0  0  0  0
   -6.5774    1.2106   -2.0309 C   0  0  0  0  0
   -6.5386    0.0025   -2.6593 F   0  0  0  0  0
   -7.8659    1.6391   -2.1145 F   0  0  0  0  0
   -6.9903    0.2539    0.1021 F   0  0  0  0  0
   -6.2304    2.2939    0.0430 F   0  0  0  0  0
    3.4067    0.5268    0.2385 Cl  0  0  0  0  0
   -1.0241    2.4129   -0.1974 H   0  0  0  0  0
    1.4128    2.5512    0.0023 H   0  0  0  0  0
    1.6693   -1.7410    0.1702 H   0  0  0  0  0
   -0.7788   -1.9009   -0.0306 H   0  0  0  0  0
   -5.1513   -1.5443   -0.3876 H   0  0  0  0  0
   -3.3439    2.2493   -0.3377 H   0  0  0  0  0
   -5.9498    1.9137   -2.5868 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 24  1  0  0  0
 12 17  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
M  END

>  <Chemical Name>
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole

>  <PubChem CID>
800359

>  <Formula>
C11H7ClF4N2

>  <Molecular Weight>
278.635000

>  <IUPAC Name>
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=CC=C1C2=NNC(=C2)C(C(F)F)(F)F)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1C2=NNC(=C2)C(C(F)F)(F)F)Cl

>  <InChI Std. ID>
InChI=1S/C11H7ClF4N2/c12-7-3-1-6(2-4-7)8-5-9(18-17-8)11(15,16)10(13)14/h1-5,10H,(H,17,18)

>  <InChI Key>
AAKQZDCEBUKFHD-UHFFFAOYSA-N

