389053
  -OEChem-04242421522D

 27 27  0     0  0  0  0  0  0999 V2000
    4.0000   -1.7694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.7694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.7694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2353    3.1785    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.7000    1.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    3.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4921    2.5094    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5411    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -0.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    0.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    1.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334    2.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8676    4.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  0  0  0  0
  5 17  1  0  0  0  0
  6 16  2  0  0  0  0
  7 12  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 18  2  0  0  0  0
 11 20  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  CHG  2   7  -1  12   1
M  END
> <PUBCHEM_COMPOUND_CID>
389053

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
383

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzscAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHwAUAAAACADBghQtkBfcUACpABE3dwAAgC0REqAJQICYMACASAAACCAUAAAIFgKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-nitro-1-imidazolyl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-nitroimidazol-1-yl)-<I>N</I>-(2,2,3,3,3-pentafluoropropyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-nitroimidazol-1-yl)-N-[2,2,3,3,3-pentakis(fluoranyl)propyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H7F5N4O3/c9-7(10,8(11,12)13)4-15-5(18)3-16-2-1-14-6(16)17(19)20/h1-2H,3-4H2,(H,15,18)

> <PUBCHEM_IUPAC_INCHIKEY>
JGGDSDPOPRWSCX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.1

> <PUBCHEM_EXACT_MASS>
302.04383091

> <PUBCHEM_MOLECULAR_FORMULA>
C8H7F5N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
302.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCC(C(F)(F)F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCC(C(F)(F)F)(F)F

> <PUBCHEM_CACTVS_TPSA>
92.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.04383091

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  8
10  19  8
11  18  8
11  20  8
19  20  8

$$$$