Methyl perfluoro-3,6-dioxadecanoate

CAT: 0024-sc-257789Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257789Size:25 g

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CAS Number

129301-40-2

Chemical Information

Methyl 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(perfluorobutoxy)ethoxy)acetate

CAS Number	129301-40-2
PubChem CID	2769356
IUPAC Name	methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetate
Molecular Formula	C9H3F15O4
Molecular Weight	460.09
XLogP	5.4
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	9
Heavy Atom Count	28
Formal Charge	0
Complexity	581

SMILES

COC(=O)C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C9H3F15O4/c1-26-2(25)3(10,11)27-8(21,22)9(23,24)28-7(19,20)5(14,15)4(12,13)6(16,17)18/h1H3

InChIKey

FBGFUFLXPSSLND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129301-40-2

CID: 2769356

Formula: C9H3F15O4

MW: 460.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	460.09
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	9
Exact Mass	459.9791810
Monoisotopic Mass	459.9791810
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	581
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-263702	Methyl perfluoro-3,6-dioxaheptanoate
sc-263703A	Methyl perfluoro-3,6,9-trioxatridecanoate
sc-263703	Methyl perfluoro-3,6,9-trioxatridecanoate
sc-260341A	2H-Perfluoro-5-methyl-3,6-dioxanonane
sc-260341	2H-Perfluoro-5-methyl-3,6-dioxanonane
sc-257790	Methyl perfluoro (2-methyl-3-oxahexanoate)
sc-358512	Potassium perfluoro (4-methyl-3,6-dioxooctane) sulphonate
sc-257790A	Methyl perfluoro (2-methyl-3-oxahexanoate)
sc-264027	Perfluoro (4-methyl-3,6-dioxaoctane) sulphonyl fluoride
sc-257990A	Perfluoro (5-methyl-3,6-dioxanon-1-ene)

Catalog	Name
PC7594	Methyl perfluoro-3,6-dioxadecanoate
PC1947-01	Methyl perfluoro-3,6-dioxaheptanoate
PC7879-01	Methyl perfluoro-3,6,9-trioxatridecanoate
PC9779-01	Methyl perfluoro-3,6,9-trioxadecanoate
PC7896-01	2H-Perfluoro-5-methyl-3,6-dioxanonane
PC108120	Methyl perfluoro (3-methoxypropionate)
PC6122D-01	Methyl perfluoro (2-methyl-3-oxahexanoate)
PC28311-01	7H-Perfluoro-4-methyl-3,6-dioxaoctanesulfonic acid
PC1023-01	Perfluoro (4-methyl-3,6-dioxaoctane) sulphonyl fluoride
PC4581-01	Perfluoro (5-methyl-3,6-dioxanon-1-ene)