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Perfluorodecalin

CAT: 1489-P6510-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:1489-P6510-03Size:25 g
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CAS Number
306-94-5
Purity
0.95

Chemical Information

Perfluorodecalin

Perfluorodecalin is a fluorocarbon that is decalin in which every hydrogen is replaced by fluorine. Capable of dissolving large quantities of oxygen, it has been used as the basis of an artificial blood substitute. It has a role as a blood substitute and a solvent. It derives from a hydride of a decalin.

CAS Number306-94-5
PubChem CID9386
IUPAC Name1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
Molecular FormulaC10F18
Molecular Weight462.08
XLogP5.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity587
SMILES
C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16
InChIKey
UWEYRJFJVCLAGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluorodecalin
CAS: 306-94-5
CID: 9386
Formula: C10F18
MW: 462.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.08
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count0
Exact Mass461.9712569
Monoisotopic Mass461.9712569
Topological Polar Surface Area0 Ų
Heavy Atom Count28
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
50547934-100gPerfluorodecalin
sc-286836Trans-Perfluorodecalin
PC5960ACis-Perfluorodecalin
462236-01Perfluorodecalin discontinued
P05290-01Perfluorodecalin mixture of isomers 90%

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