
 alpha-fluoromethylenephosphonate

 75 74  0  0  0  0  0  0  0  0999 V2000
   12.7439   -4.2563    2.2921 C   0  0  0  0  0
   11.6033   -3.3686    1.8202 C   0  0  0  0  0
   11.9289   -1.8884    2.0155 C   0  0  0  0  0
   10.7759   -0.9977    1.5487 C   0  0  0  0  0
   11.1131    0.4822    1.7311 C   0  0  0  0  0
    9.9666    1.3826    1.2659 C   0  0  0  0  0
   10.3295    2.8575    1.4394 C   0  0  0  0  0
    9.2150    3.7831    0.9460 C   0  0  0  0  0
    9.6348    5.2173    1.0919 C   0  0  0  0  0
    9.9759    5.9993    0.0561 C   0  0  0  0  0
   10.5060    7.3978    0.1996 C   0  0  0  0  0
   12.0134    7.4015   -0.0551 C   0  0  0  0  0
   12.6165    8.8054    0.0096 C   0  0  0  0  0
   14.1242    8.7395   -0.2407 C   0  0  0  0  0
   14.7685   10.1248   -0.3018 C   0  0  0  0  0
   16.2523   10.0036   -0.6538 C   0  0  0  0  0
   16.9277   11.3660   -0.7950 C   0  0  0  0  0
   18.3613   11.2214   -1.2530 C   0  0  0  0  0
   18.8595   10.2011   -1.7059 O   0  0  0  0  0
   19.0131   12.4096   -1.1105 O   0  0  0  0  0
   20.3947   12.3841   -1.5000 C   0  0  0  0  0
   21.1316   13.5853   -0.8830 C   0  0  0  0  0
   21.1187   13.4808    0.6455 C   0  0  0  0  0
   21.6315   14.7392    1.3131 C   0  0  0  0  0
   20.8294   15.7844    0.9699 F   0  0  0  0  0
   21.4978   14.7243    3.0918 P   0  0  0  0  0
   20.1749   14.3719    3.6920 O   0  0  0  0  0
   22.6899   13.7829    3.6212 O   0  0  0  0  0
   22.0450   16.1387    3.6197 O   0  0  0  0  0
   22.4868   13.5433   -1.3493 O   0  0  0  0  0
   22.9701   14.7826   -1.8519 C   0  0  0  0  0
   12.4926   -5.3102    2.1380 H   0  0  0  0  0
   12.9420   -4.1066    3.3583 H   0  0  0  0  0
   13.6635   -4.0417    1.7382 H   0  0  0  0  0
   10.6936   -3.6266    2.3747 H   0  0  0  0  0
   11.4061   -3.5693    0.7608 H   0  0  0  0  0
   12.8382   -1.6362    1.4563 H   0  0  0  0  0
   12.1373   -1.6940    3.0747 H   0  0  0  0  0
    9.8696   -1.2414    2.1161 H   0  0  0  0  0
   10.5608   -1.1980    0.4921 H   0  0  0  0  0
   12.0207    0.7222    1.1635 H   0  0  0  0  0
   11.3315    0.6824    2.7872 H   0  0  0  0  0
    9.0602    1.1553    1.8395 H   0  0  0  0  0
    9.7443    1.1791    0.2114 H   0  0  0  0  0
   11.2542    3.0691    0.8864 H   0  0  0  0  0
   10.5386    3.0606    2.4976 H   0  0  0  0  0
    8.2990    3.6182    1.5251 H   0  0  0  0  0
    8.9768    3.5526   -0.0990 H   0  0  0  0  0
    9.7055    5.6030    2.1070 H   0  0  0  0  0
    9.9260    5.6042   -0.9570 H   0  0  0  0  0
   10.2939    7.7969    1.1986 H   0  0  0  0  0
    9.9935    8.0466   -0.5202 H   0  0  0  0  0
   12.2210    6.9657   -1.0412 H   0  0  0  0  0
   12.5104    6.7600    0.6847 H   0  0  0  0  0
   12.4214    9.2544    0.9906 H   0  0  0  0  0
   12.1409    9.4442   -0.7440 H   0  0  0  0  0
   14.3101    8.2133   -1.1853 H   0  0  0  0  0
   14.6007    8.1496    0.5524 H   0  0  0  0  0
   14.6513   10.6345    0.6617 H   0  0  0  0  0
   14.2604   10.7342   -1.0585 H   0  0  0  0  0
   16.3560    9.4439   -1.5916 H   0  0  0  0  0
   16.7692    9.4178    0.1173 H   0  0  0  0  0
   16.9165   11.8797    0.1721 H   0  0  0  0  0
   16.3975   11.9789   -1.5321 H   0  0  0  0  0
   20.4533   12.4363   -2.5938 H   0  0  0  0  0
   20.8823   11.4532   -1.1823 H   0  0  0  0  0
   20.6186   14.5040   -1.1953 H   0  0  0  0  0
   21.7333   12.6337    0.9730 H   0  0  0  0  0
   20.0973   13.2994    0.9981 H   0  0  0  0  0
   22.6548   14.9826    1.0219 H   0  0  0  0  0
   23.5119   13.7996    3.0947 H   0  0  0  0  0
   21.8470   16.2462    4.5706 H   0  0  0  0  0
   23.8060   14.5710   -2.5253 H   0  0  0  0  0
   23.3509   15.3950   -1.0301 H   0  0  0  0  0
   22.2077   15.3303   -2.4103 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 47  1  0  0  0
  8 48  1  0  0  0
  9 10  2  0  0  0
  9 49  1  0  0  0
 10 11  1  0  0  0
 10 50  1  0  0  0
 11 12  1  0  0  0
 11 51  1  0  0  0
 11 52  1  0  0  0
 12 13  1  0  0  0
 12 53  1  0  0  0
 12 54  1  0  0  0
 13 14  1  0  0  0
 13 55  1  0  0  0
 13 56  1  0  0  0
 14 15  1  0  0  0
 14 57  1  0  0  0
 14 58  1  0  0  0
 15 16  1  0  0  0
 15 59  1  0  0  0
 15 60  1  0  0  0
 16 17  1  0  0  0
 16 61  1  0  0  0
 16 62  1  0  0  0
 17 18  1  0  0  0
 17 63  1  0  0  0
 17 64  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 65  1  0  0  0
 21 66  1  0  0  0
 22 30  1  0  0  0
 22 23  1  0  0  0
 22 67  1  0  0  0
 23 24  1  0  0  0
 23 68  1  0  0  0
 23 69  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 24 70  1  0  0  0
 26 29  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 71  1  0  0  0
 29 72  1  0  0  0
 30 31  1  0  0  0
 31 73  1  0  0  0
 31 74  1  0  0  0
 31 75  1  0  0  0
M  END

>  <Chemical Name>
alpha-fluoromethylenephosphonate

>  <PubChem CID>
44400349

>  <Formula>
C23H44FO6P

>  <Molecular Weight>
466.571000

>  <IUPAC Name>
[(3S)-1-fluoro-3-methoxy-4-[(E)-octadec-9-enoyl]oxybutyl]phosphonic acid

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(F)P(=O)(O)O)OC

>  <Isomeric SMILES>
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CC(F)P(=O)(O)O)OC

>  <InChI Std. ID>
InChI=1S/C23H44FO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)30-20-21(29-2)19-22(24)31(26,27)28/h10-11,21-22H,3-9,12-20H2,1-2H3,(H2,26,27,28)/b11-10+/t21-,22?/m0/s1

>  <InChI Key>
KGVHPTQYUKZZPY-VXECIVMWSA-N

