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Perfluoroheptyl Iodide

CAT: 0572-TRC-P286315-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P286315-1GSize:1 g
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CAS Number
335-58-0
Synonyms
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptane; Pentadecafluoro-1-iodoheptane; 1-Iodoperfluoroheptane; Pentadecafluoro-1-iodoheptane; Pentadecafluoroheptyl Iodide; Perfluoro-1-iodoheptane; Perfluoro-n-heptyl Iodide;
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
Molecular Formula
C7F15I
Molecular Weight
495.96
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Perfluoroheptyl iodide
CAS Number335-58-0
PubChem CID67633
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane
Molecular FormulaC7F15I
Molecular Weight495.95
XLogP6.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity445
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)I)(F)F)(F)F)(F)F
InChI
InChI=1S/C7F15I/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23
InChIKey
AHUMDLIBMIYQMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluoroheptyl iodide
CAS: 335-58-0
CID: 67633
Formula: C7F15I
MW: 495.95
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight495.95
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Exact Mass495.88052
Monoisotopic Mass495.88052
Topological Polar Surface Area0 Ų
Heavy Atom Count23
Formal Charge0
Complexity445
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