
 fenfluramine

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.6326   -1.8408   -0.5789 C   0  0  0  0  0
    4.9965   -1.3886   -0.0757 C   0  0  0  0  0
    5.2800   -0.0409   -0.5674 N   0  0  0  0  0
    6.5278    0.5404   -0.0293 C   0  0  0  0  0
    7.7618   -0.2538   -0.4772 C   0  0  0  0  0
    6.6074    2.0141   -0.5078 C   0  0  0  0  0
    7.8263    2.7761   -0.0356 C   0  0  0  0  0
    8.7550    3.2639   -0.9687 C   0  0  0  0  0
    9.9005    3.9616   -0.5539 C   0  0  0  0  0
   10.1078    4.1686    0.8177 C   0  0  0  0  0
    9.1858    3.6963    1.7512 C   0  0  0  0  0
    8.0489    3.0086    1.3273 C   0  0  0  0  0
   10.9023    4.4825   -1.5545 C   0  0  0  0  0
   11.0710    5.8319   -1.4694 F   0  0  0  0  0
   12.1407    3.9415   -1.3821 F   0  0  0  0  0
   10.5647    4.2320   -2.8507 F   0  0  0  0  0
    3.4259   -2.8613   -0.2400 H   0  0  0  0  0
    3.5928   -1.8361   -1.6738 H   0  0  0  0  0
    2.8341   -1.1923   -0.2030 H   0  0  0  0  0
    5.7428   -2.1015   -0.4391 H   0  0  0  0  0
    4.9996   -1.4104    1.0196 H   0  0  0  0  0
    4.4967    0.5691   -0.3307 H   0  0  0  0  0
    6.4807    0.5293    1.0671 H   0  0  0  0  0
    7.8339   -0.2958   -1.5691 H   0  0  0  0  0
    7.7436   -1.2790   -0.0949 H   0  0  0  0  0
    8.6838    0.1953   -0.0947 H   0  0  0  0  0
    5.7217    2.5649   -0.1615 H   0  0  0  0  0
    6.5632    2.0410   -1.6053 H   0  0  0  0  0
    8.5880    3.0937   -2.0327 H   0  0  0  0  0
   10.9919    4.7029    1.1619 H   0  0  0  0  0
    9.3535    3.8647    2.8128 H   0  0  0  0  0
    7.3388    2.6521    2.0704 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 13 16  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
M  END

>  <Chemical Name>
fenfluramine

>  <PubChem CID>
3337

>  <Formula>
C12H16F3N

>  <Molecular Weight>
231.262000

>  <IUPAC Name>
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F

>  <Isomeric SMILES>
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3

>  <InChI Key>
DBGIVFWFUFKIQN-UHFFFAOYSA-N

