Mrv0541 04021416452D          

 20 19  0  0  0  0            999 V2000
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    1.6018   -1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0143   -1.9802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0307   -1.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182   -1.9802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431   -1.9802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4594   -1.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1739   -0.8533    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451   -0.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327   -0.1388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1576   -0.1388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162   -0.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9037   -0.1388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287   -0.1388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874   -0.0283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730   -1.2657    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1730   -0.4407    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4594   -2.0908    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1739   -1.6783    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 13  2  1  0  0  0  0
  5 13  1  0  0  0  0
 10  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
> <ID>
CHEBI:39427

> <NAME>
perfluorohexane

> <DEFINITION>
A fluoroalkane that is hexane in which all of the hydrogens have been replaced by fluorines.

> <STAR>
3

> <SYNONYM>
Perfluorohexane; Perflexane; n-tetradecafluorohexane; n-perfluorohexane; 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane

> <IUPAC_NAME>
tetradecafluorohexane

> <FORMULA>
C6F14

> <MASS>
338.04180

> <MONOISOTOPIC_MASS>
337.97764

> <CHARGE>
0

> <SMILES>
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

> <INCHI>
InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20

> <INCHIKEY>
ZJIJAJXFLBMLCK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1802113

> <CAS_REGISTRY_NUMBER>
355-42-0

> <GMELIN_REGISTRY_NUMBER>
569173

> <CHEMIDPLUS>
355-42-0

> <NIST_CHEMISTRY_WEBBOOK>
355-42-0

> <WIKIPEDIA_ACCESSION>
Perfluorohexane

$$$$