Perfluoroheptyl iodide

CAT: 0127-PC6060-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

335-58-0

Synonyms

Perfluoro-1-iodoheptane, 1-Iodo-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoroheptane

MDL Number

MFCD00013712

Purity

97%

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I

Storage Conditions

Store at 2-8°C

Chemical Information

Perfluoroheptyl iodide

CAS Number	335-58-0
PubChem CID	67633
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane
Molecular Formula	C7F15I
Molecular Weight	495.95
XLogP	6.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	445

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

CAS: 335-58-0

CID: 67633

Formula: C7F15I

MW: 495.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	495.95
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Exact Mass	495.88052
Monoisotopic Mass	495.88052
Topological Polar Surface Area	0 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	445
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC5264-01	Perfluoropentyl iodide
PC6087-01	Perfluorohexyl iodide
PC6087B-01	6H-Perfluorohexyl iodide
PC408113	1H,1H-Perfluoroheptyl acrylate
PC450374	1H,1H,7H-Perfluoroheptyl 1H,1H-perfluorohexyl carbonate
PC450263-01	1H,1H-Perfluoroheptyl methacrylate
PC106631	1H,1H,7H-Perfluoroheptyl nonafluorobutanesulfonate
PC106633	1H,1H,7H-Perfluoroheptyl trifluoromethanesulfonate
PC3132F	1H,1H,7H-Perfluoroheptyl methacrylate
PC106629	1H,1H,7H-Perfluoroheptyl methanesulfonate

Catalog	Name
165886	Perfluoroheptyl Iodide
sc-264045A	Perfluoroheptyl bromide
TRC-P270605-100MG	3-Perfluoroheptyl Propanoic Acid
sc-506885	1H,1H-Perfluoroheptyl methacrylate
sc-304229	1H,1H-Perfluoroheptyl p-toluenesulfonate
sc-258751	1-Iodo-2- (perfluoroheptyl) ethane
sc-259075	1H,1H,7H-Perfluoroheptyl methacrylate
MA-0228	Iodide
sc-357419	Bis (7-chloro-1H,1H-perfluoroheptyl) sulphate
056195-01	Cuprous Iodide for Synthesis (Copper (I) Iodide)