Mrv0541 02241205062D          

 17 16  0  0  0  0            999 V2000
    2.9963   -1.6449    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107   -2.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982   -2.7719    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1232   -1.3429    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252   -2.4699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0127   -3.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397   -2.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -2.4699    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    6.5686   -2.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831   -2.4699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6956   -3.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9976   -2.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7120   -1.6449    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4101   -2.7719    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5851   -1.3429    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377   -1.7554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8706   -1.7554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 16  5  2  0  0  0  0
 17 10  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1217

> <DATABASE_NAME>
t3db

> <SMILES>
FC(F)(F)S(=O)(=O)O[Cu]OS(=O)(=O)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/2CHF3O3S.Cu/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2

> <INCHI_KEY>
SBTSVTLGWRLWOD-UHFFFAOYSA-L

> <FORMULA>
C2CuF6O6S2

> <MOLECULAR_WEIGHT>
361.684

> <EXACT_MASS>
360.833649421

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
17.032897832823778

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(trifluoromethanesulfonyloxy)cuprio trifluoromethanesulfonate

> <ALOGPS_LOGP>
3.14

> <JCHEM_LOGP>
2.6888

> <ALOGPS_LOGS>
-3.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
86.74000000000001

> <JCHEM_REFRACTIVITY>
31.535000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(trifluoromethanesulfonyloxy)cuprio trifluoromethanesulfonate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1217

> <NAME>
Copper(II) triflate

> <CAS>
34946-82-2

> <SYNONYMS>
Copper(II) triflic acid; Copper(II) trifluoromethanesulphonate

> <TYPES>
Inorganic Compound; Organic Compound; Copper Compound; Organofluoride; Industrial/Workplace Toxin; Synthetic Compound

$$$$