9528
  -OEChem-05132423492D

 15 14  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -0.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.9749    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  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9528

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
98.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgIcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAAAAAAAACggBIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

> <PUBCHEM_IUPAC_NAME>
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,1-tris(fluoranyl)-2-[2,2,2-tris(fluoranyl)ethoxy]ethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
KGPPDNUWZNWPSI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
182.01663372

> <PUBCHEM_MOLECULAR_FORMULA>
C4H4F6O

> <PUBCHEM_MOLECULAR_WEIGHT>
182.06

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(F)(F)F)OCC(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(F)(F)F)OCC(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.01663372

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$