Mrv1572004251606242D          

 14 13  0  0  0  0            999 V2000
   -0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.5395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.1105    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  9  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  2  0  0  0  0
 13 11  2  0  0  0  0
 14  1  1  0  0  0  0
 14  2  1  0  0  0  0
 14  3  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009610

> <DATABASE_NAME>
chemdb

> <SMILES>
C[Si](C)(C)OC(=O)C(F)(F)S(F)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H9F3O4SSi/c1-14(2,3)12-4(9)5(6,7)13(8,10)11/h1-3H3

> <INCHI_KEY>
XHVSCKNABCCCAC-UHFFFAOYSA-N

> <FORMULA>
C5H9F3O4SSi

> <MOLECULAR_WEIGHT>
250.26

> <EXACT_MASS>
249.994290968

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
18.1444904576982

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate

> <ALOGPS_LOGP>
2.83

> <JCHEM_LOGP>
2.1536

> <ALOGPS_LOGS>
-3.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.023088978475013

> <JCHEM_POLAR_SURFACE_AREA>
60.44

> <JCHEM_REFRACTIVITY>
39.10500000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Acetic acid, 2,2-difluoro-2-(fluorosulfonyl)-, trimethylsilyl ester

> <CAS>
120801-75-4

$$$$