12664
  -OEChem-11232513082D

  9  9  0     0  0  0  0  0  0999 V2000
    5.4641    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12664

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
69.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDAYAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAABQAAAAAAAAAAAAABEAYIEAAgAAAAJAAAAAkAAIABAAAAAACACAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,4,6-trifluoro-1,3,5-triazine

> <PUBCHEM_IUPAC_CAS_NAME>
2,4,6-trifluoro-1,3,5-triazine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,4,6-trifluoro-1,3,5-triazine

> <PUBCHEM_IUPAC_NAME>
2,4,6-trifluoro-1,3,5-triazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,4,6-tris(fluoranyl)-1,3,5-triazine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,4,6-trifluoro-s-triazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1

> <PUBCHEM_IUPAC_INCHIKEY>
VMKJWLXVLHBJNK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
135.00443150

> <PUBCHEM_MOLECULAR_FORMULA>
C3F3N3

> <PUBCHEM_MOLECULAR_WEIGHT>
135.05

> <PUBCHEM_SMILES>
C1(=NC(=NC(=N1)F)F)F

> <PUBCHEM_CONNECTIVITY_SMILES>
C1(=NC(=NC(=N1)F)F)F

> <PUBCHEM_CACTVS_TPSA>
38.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
135.00443150

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
4  7  8
4  8  8
5  7  8
5  9  8
6  8  8
6  9  8

$$$$
