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Perfluoropentyl iodide

CAT: 0127-PC5264-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC5264-01Size:5 g
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CAS Number
638-79-9
Synonyms
Perfluoro-1-iodopentane, 1-Iodo-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane, 1-Iodoperfluoropentane
MDL Number
MFCD08461629
Purity
98%
Smiles
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
Additionnal Information
Stabilised with copper chip

Chemical Information

5-Iodoundecafluoropentane
CAS Number638-79-9
PubChem CID69494
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-iodopentane
Molecular FormulaC5F11I
Molecular Weight395.94
XLogP4.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity289
SMILES
C(C(C(F)(F)F)(F)F)(C(C(F)(F)I)(F)F)(F)F
InChI
InChI=1S/C5F11I/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17
InChIKey
KCEJJSGJNCSQFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Iodoundecafluoropentane
CAS: 638-79-9
CID: 69494
Formula: C5F11I
MW: 395.94
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight395.94
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass395.88691
Monoisotopic Mass395.88691
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity289
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