Mrv1572004191601162D          

  9  9  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
  9  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004293

> <DATABASE_NAME>
chemdb

> <SMILES>
FC1=NC(F)=NC(F)=N1

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

> <INCHI_KEY>
VMKJWLXVLHBJNK-UHFFFAOYSA-N

> <FORMULA>
C3F3N3

> <MOLECULAR_WEIGHT>
135.049

> <EXACT_MASS>
135.004431501

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
7.39907290843232

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trifluoro-1,3,5-triazine

> <ALOGPS_LOGP>
1.49

> <JCHEM_LOGP>
1.7186153100000001

> <ALOGPS_LOGS>
-1.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
38.67

> <JCHEM_REFRACTIVITY>
25.112399999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.92e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyanuric fluoride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Cyanuric fluoride

> <CAS>
675-14-9

$$$$