64505
 OpenBabel05082101102D

 25 25  0  0  1  0  0  0  0  0999 V2000
    3.7320    1.3170    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.8170    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
    4.2320    0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220    2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1 11  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
64505

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
166

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMQIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGggAACgACBSggAICAAAAARAAQAAAAIAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
[fluoro(methyl)phosphoryl]oxycyclohexane

>  <PUBCHEM_IUPAC_CAS_NAME>
[fluoro(methyl)phosphoryl]oxycyclohexane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
[fluoro(methyl)phosphoryl]oxycyclohexane

>  <PUBCHEM_IUPAC_NAME>
[fluoro(methyl)phosphoryl]oxycyclohexane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[fluoranyl(methyl)phosphoryl]oxycyclohexane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[fluoro(methyl)phosphoryl]oxycyclohexane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
SNTRKUOVAPUGAY-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1.8

>  <PUBCHEM_EXACT_MASS>
180.071545

>  <PUBCHEM_MOLECULAR_FORMULA>
C7H14FO2P

>  <PUBCHEM_MOLECULAR_WEIGHT>
180.16

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CP(=O)(OC1CCCCC1)F

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CP(=O)(OC1CCCCC1)F

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
180.071545

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
1  2  3

$$$$
