78989
  -OEChem-04242423302D

  6  5  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
    4.5981    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   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
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
78989

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
37.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAIcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trifluoromethyl hypofluorite

> <PUBCHEM_IUPAC_CAS_NAME>
hypofluorous acid trifluoromethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
trifluoromethyl hypofluorite

> <PUBCHEM_IUPAC_NAME>
trifluoromethyl hypofluorite

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trifluoromethyl hypofluorite

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hypofluorous acid trifluoromethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CF4O/c2-1(3,4)6-5

> <PUBCHEM_IUPAC_INCHIKEY>
SMBZJSVIKJMSFP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
103.98852727

> <PUBCHEM_MOLECULAR_FORMULA>
CF4O

> <PUBCHEM_MOLECULAR_WEIGHT>
104.004

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(OF)(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(OF)(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
103.98852727

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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

$$$$