
 3-((2-fluorothiazol-4-yl)ethynyl)-5-fluorobenzonitrile

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.6959    1.1479   -0.0007 C   0  0  0  0  0
    0.7031    1.1391    0.0017 C   0  0  0  0  0
    1.3919   -0.0733    0.0018 C   0  0  0  0  0
    0.6753   -1.2652   -0.0003 C   0  0  0  0  0
   -0.7154   -1.2726   -0.0026 C   0  0  0  0  0
   -1.4068   -0.0594   -0.0028 C   0  0  0  0  0
   -2.8398   -0.0469   -0.0051 C   0  0  0  0  0
   -3.9997   -0.0302   -0.0070 N   0  0  0  0  0
    1.3360   -2.4299   -0.0001 F   0  0  0  0  0
    1.4228    2.3750    0.0044 C   0  0  0  0  0
    2.0185    3.4170    0.0073 C   0  0  0  0  0
    2.7173    4.6589    0.0115 C   0  0  0  0  0
    2.1205    5.9003   -0.0081 C   0  0  0  0  0
    3.3385    7.1103    0.0067 S   0  0  0  0  0
    4.5276    5.8806    0.0374 C   0  0  0  0  0
    4.0928    4.6419    0.0375 N   0  0  0  0  0
    5.8066    6.1614    0.0598 F   0  0  0  0  0
   -1.2327    2.0958   -0.0008 H   0  0  0  0  0
    2.4780   -0.1053    0.0038 H   0  0  0  0  0
   -1.2409   -2.2240   -0.0041 H   0  0  0  0  0
    1.0694    6.1501   -0.0295 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  7  8  3  0  0  0
 10 11  3  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 21  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
M  END

>  <Chemical Name>
3-((2-fluorothiazol-4-yl)ethynyl)-5-fluorobenzonitrile

>  <PubChem CID>
51050257

>  <Formula>
C12H4F2N2S

>  <Molecular Weight>
246.235000

>  <IUPAC Name>
3-fluoro-5-[2-(2-fluoro-1,3-thiazol-4-yl)ethynyl]benzonitrile

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=C(C=C(C=C1C#N)F)C#CC2=CSC(=N2)F

>  <Isomeric SMILES>
C1=C(C=C(C=C1C#N)F)C#CC2=CSC(=N2)F

>  <InChI Std. ID>
InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H

>  <InChI Key>
LVXAMCKZCLWWTF-UHFFFAOYSA-N

