Mrv1652306031607462D          

 52 51  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21  4  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
 24  5  1  0  0  0  0
 25  6  1  0  0  0  0
 26  6  1  0  0  0  0
 27  7  1  0  0  0  0
 28  7  1  0  0  0  0
 29  8  1  0  0  0  0
 30  8  1  0  0  0  0
 31  9  1  0  0  0  0
 32  9  1  0  0  0  0
 33 10  1  0  0  0  0
 34 10  1  0  0  0  0
 35 11  1  0  0  0  0
 36 11  1  0  0  0  0
 37 12  1  0  0  0  0
 38 12  1  0  0  0  0
 39 13  1  0  0  0  0
 40 13  1  0  0  0  0
 41 14  1  0  0  0  0
 42 14  1  0  0  0  0
 43 15  1  0  0  0  0
 44 15  1  0  0  0  0
 45 16  1  0  0  0  0
 46 16  1  0  0  0  0
 47 17  1  0  0  0  0
 48 17  1  0  0  0  0
 49 18  1  0  0  0  0
 50 18  1  0  0  0  0
 51 18  1  0  0  0  0
 52  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM013483

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI

> <INCHI_IDENTIFIER>
InChI=1S/C18H4F33I/c19-3(20,1-2-52)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51/h1-2H2

> <INCHI_KEY>
GCGKXUZHBVVLML-UHFFFAOYSA-N

> <FORMULA>
C18H4F33I

> <MOLECULAR_WEIGHT>
974.082

> <EXACT_MASS>
973.88307

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
44.49835340858476

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-tritriacontafluoro-18-iodooctadecane

> <ALOGPS_LOGP>
5.97

> <JCHEM_LOGP>
13.186827847333335

> <ALOGPS_LOGS>
-4.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
99.46640000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.78e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-tritriacontafluoro-18-iodooctadecane

> <JCHEM_VEBER_RULE>
0

> <NAME>
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-Tritriacontafluoro-18-iodooctadecane

> <CAS>
65150-94-9

$$$$