Marvin  03131311172D          

 23 24  0  0  0  0            999 V2000
   11.6633   -6.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4915   -6.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4915   -4.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6633   -4.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2546   -5.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5983   -5.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1895   -6.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1840   -4.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3614   -4.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3614   -6.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4264   -4.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4264   -5.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4264   -6.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9057   -5.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7341   -5.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9471   -5.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1188   -5.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2050   -4.2724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6479   -4.2724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4264   -3.7203    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2050   -6.4811    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6479   -6.4811    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4264   -7.0333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2 14  1  0  0  0  0
 14  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5 12  1  0  0  0  0
 12  6  1  0  0  0  0
  7  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 16  1  0  0  0  0
 16 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <ID>
CHEBI:72754

> <NAME>
bisphenol AF

> <DEFINITION>
An organofluorine compound that is  bisphenol A with its methyl hydrogens replaced by fluorines.

> <STAR>
3

> <SYNONYM>
Hexafluoroisopropylidenebis(4-hydroxybenzene); Bisphenol AF; 4,4'-(Hexafluoroisopropylidene)diphenol; 2,2-Bis-(p-hydroxyphenyl)-hexafluoropropane; 2,2-Bis(4-hydroxyphenyl)perfluoropropane

> <IUPAC_NAME>
4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol

> <FORMULA>
C15H10F6O2

> <MASS>
336.22910

> <MONOISOTOPIC_MASS>
336.05850

> <CHARGE>
0

> <SMILES>
Oc1ccc(cc1)C(c1ccc(O)cc1)(C(F)(F)F)C(F)(F)F

> <INCHI>
InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H

> <INCHIKEY>
ZFVMWEVVKGLCIJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1478-61-1

> <REAXYS_REGISTRY_NUMBER>
1891568

> <CHEMIDPLUS>
1478-61-1

> <KEGG_COMPOUND_ACCESSION>
C14350

> <WIKIPEDIA_ACCESSION>
Bisphenol_AF

> <PUBMED_CITATION>
22882828

$$$$