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Perfluorodecane Sulfonic Acid

CAT: 0572-TRC-P286540-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P286540-5MGSize:5 mg
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CAS Number
335-77-3
Synonyms
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoro-1-decanesulfonic Acid ; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Henicosafluorodecane-1-sulfonate; PFDS; Heneicosafluoro-1-decanesulfonic Acid;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
FC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(O)=O
Molecular Formula
C10HF21O3S
Molecular Weight
600.14
InChI
InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)
Additionnal Information
IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Perfluorodecanesulfonic acid
CAS Number335-77-3
PubChem CID67636
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid
Molecular FormulaC10HF21O3S
Molecular Weight600.15
XLogP6.4
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count24
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity907
SMILES
C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)
InChIKey
HYWZIAVPBSTISZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluorodecanesulfonic acid
CAS: 335-77-3
CID: 67636
Formula: C10HF21O3S
MW: 600.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.15
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count24
Rotatable Bond Count9
Exact Mass599.9311065
Monoisotopic Mass599.9311065
Topological Polar Surface Area62.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity907
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

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