5206
  -OEChem-09272320462D

 15 14  0     0  0  0  0  0  0999 V2000
    5.4641    1.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5206

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
121

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgIcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAAAAAACBSggBIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

> <PUBCHEM_IUPAC_NAME>
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,1,3,3,3-hexakis(fluoranyl)-2-(fluoranylmethoxy)propane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2

> <PUBCHEM_IUPAC_INCHIKEY>
DFEYYRMXOJXZRJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
200.00721185

> <PUBCHEM_MOLECULAR_FORMULA>
C4H3F7O

> <PUBCHEM_MOLECULAR_WEIGHT>
200.05

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(OC(C(F)(F)F)C(F)(F)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(OC(C(F)(F)F)C(F)(F)F)F

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
200.00721185

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$