7871
 OpenBabel05082101102D

 18 17  0  0  1  0  0  0  0  0999 V2000
    2.8660    0.0670    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.6230    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  8  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  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7871

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
113

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGggAACgACBSggAICAAAAARAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[fluoro(methyl)phosphoryl]oxypropane

>  <PUBCHEM_IUPAC_CAS_NAME>
2-[fluoro(methyl)phosphoryl]oxypropane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-[fluoro(methyl)phosphoryl]oxypropane

>  <PUBCHEM_IUPAC_NAME>
2-[fluoro(methyl)phosphoryl]oxypropane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[fluoranyl(methyl)phosphoryl]oxypropane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[fluoro(methyl)phosphoryl]oxypropane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DYAHQFWOVKZOOW-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
0.8

>  <PUBCHEM_EXACT_MASS>
140.040245

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H10FO2P

>  <PUBCHEM_MOLECULAR_WEIGHT>
140.09

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)OP(=O)(C)F

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)OP(=O)(C)F

>  <PUBCHEM_CACTVS_TPSA>
26.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
140.040245

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
8

>  <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

$$$$
