
 2-Fluoroepinephrine

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.7943    2.0579   -0.9645 C   0  0  0  0  0
    2.2381    2.2704   -0.9146 N   0  0  0  0  0
    2.9479    0.9730   -0.8546 C   0  0  0  0  0
    4.4842    1.1229   -1.0387 C   0  0  0  0  0
    4.9128    1.5111   -2.4410 C   0  0  0  0  0
    4.6228    0.6581   -3.5142 C   0  0  0  0  0
    5.0014    0.9767   -4.8156 C   0  0  0  0  0
    5.6905    2.1537   -5.0674 C   0  0  0  0  0
    6.0137    3.0129   -4.0285 C   0  0  0  0  0
    5.6316    2.6901   -2.7200 C   0  0  0  0  0
    6.0664    2.4722   -6.3399 O   0  0  0  0  0
    4.7155    0.1475   -5.8681 O   0  0  0  0  0
    3.9846   -0.5040   -3.3030 F   0  0  0  0  0
    4.9611    2.0630   -0.0666 O   0  0  0  0  0
    0.2878    3.0254   -1.0246 H   0  0  0  0  0
    0.4369    1.5442   -0.0670 H   0  0  0  0  0
    0.5068    1.4802   -1.8482 H   0  0  0  0  0
    2.4443    2.7922   -0.0622 H   0  0  0  0  0
    2.5431    0.2815   -1.6014 H   0  0  0  0  0
    2.7609    0.5370    0.1355 H   0  0  0  0  0
    4.9616    0.1658   -0.7974 H   0  0  0  0  0
    6.5641    3.9276   -4.2303 H   0  0  0  0  0
    5.9141    3.3731   -1.9217 H   0  0  0  0  0
    5.7401    1.7330   -6.8907 H   0  0  0  0  0
    4.2358   -0.6159   -5.4936 H   0  0  0  0  0
    4.4784    2.8864   -0.2598 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4 14  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
2-Fluoroepinephrine

>  <PubChem CID>
10512270

>  <Formula>
C9H12FNO3

>  <Molecular Weight>
201.197000

>  <IUPAC Name>
3-fluoro-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

>  <XlogP>
0.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CNCC(C1=C(C(=C(C=C1)O)O)F)O

>  <Isomeric SMILES>
CNC[C@@H](C1=C(C(=C(C=C1)O)O)F)O

>  <InChI Std. ID>
InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3/t7-/m0/s1

>  <InChI Key>
HGZKLMFEVVYGMO-ZETCQYMHSA-N

