1-Iodoperfluoro (5-methylhexane)

CAT: 0024-sc-258756Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-258756Size:25 g

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CAS Number

3486-08-6

Chemical Information

1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane

CAS Number	3486-08-6
PubChem CID	77036
IUPAC Name	1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)hexane
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	4
Heavy Atom Count	23
Formal Charge	0
Complexity	428

SMILES

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

InChI

InChI=1S/C7F15I/c8-1(5(15,16)17,6(18,19)20)2(9,10)3(11,12)4(13,14)7(21,22)23

InChIKey

OUFXTVSYOAPUKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3486-08-6

CID: 77036

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	4
Exact Mass	495.88052
Monoisotopic Mass	495.88052
Topological Polar Surface Area	0 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	428
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
sc-264763	1-Bromo-5-methylhexane
sc-264786	1-Chloro-5-methylhexane
sc-225146	2-Amino-5-methylhexane
sc-258757A	1-Iodoperfluoro (7-methyloctane)
sc-258757	1-Iodoperfluoro (7-methyloctane)
sc-256200B	2-Methylhexane
sc-256200	2-Methylhexane
sc-256200A	2-Methylhexane
sc-238597	3-Methylhexane
sc-256200C	2-Methylhexane

Catalog	Name
OR1030058-01	1-Bromo-5-Methylhexane
BAA46211	5-Methylhexane-1,5-diol
B22555-01	1-Bromo-5-methylhexane 97%
UFA71226-01	1-Methoxy-5-methylhexane-2,4-dione
PC107079	2-Iodoperfluoro (5-methyl-4-oxahexane)
FBA98428	1,1,1-Trifluoro-5-methylhexane-2,4-dione
PC107882	8-Iodoperfluoro-2,5-dimethyl-3,6-dioxaoctanoyl fluoride
PC109916	1,1,1,5,5,5-Hexafluoroacetylacetone
PC450178-01	1,1,1,5,5,5-Hexafluoropentane
OR1022998	N1- (7-Chloroquinolin-4-Yl) -N6- (6- ((7-Chloroquinolin-4-Yl) Amino) Hexyl) -N6-Methylhexane-1,6-Diamine