157857
  -OEChem-05251319122D

 16 15  0     0  0  0  0  0  0999 V2000
    3.7320    0.1230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8770    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.4890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -1.2430    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.4890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.2430    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -0.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1 12  2  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
157857

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
374

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBCOcBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQQQAAAAAAAABAAAAAAAAIAAAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

> <PUBCHEM_IUPAC_NAME>
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,1-tris(fluoranyl)-N-(trifluoromethylsulfonyl)methanesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,1-trifluoro-N-triflyl-methanesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H

> <PUBCHEM_IUPAC_INCHIKEY>
ZXMGHDIOOHOAAE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
280.925119

> <PUBCHEM_MOLECULAR_FORMULA>
C2HF6NO4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
281.154059

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
97.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.925119

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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

$$$$