4116
  -OEChem-05132403252D

 12 11  0     0  0  0  0  0  0999 V2000
    5.4641   -0.3170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4116

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
75.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAIYAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwIAAAAAAAOAgNICAAAABAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2-dichloro-1,1-difluoro-1-methoxy-ethane

> <PUBCHEM_IUPAC_CAS_NAME>
2,2-dichloro-1,1-difluoro-1-methoxyethane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2-dichloro-1,1-difluoro-1-methoxyethane

> <PUBCHEM_IUPAC_NAME>
2,2-dichloro-1,1-difluoro-1-methoxyethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2-bis(chloranyl)-1,1-bis(fluoranyl)-1-methoxy-ethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2-dichloro-1,1-difluoro-1-methoxy-ethane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
RFKMCNOHBTXSMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
163.9607265

> <PUBCHEM_MOLECULAR_FORMULA>
C3H4Cl2F2O

> <PUBCHEM_MOLECULAR_WEIGHT>
164.96

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC(C(Cl)Cl)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC(C(Cl)Cl)(F)F

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
163.9607265

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$