Perfluoro-3,6-dioxadecanoic acid

CAT: 0127-PC7256Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC7256Size:25 g

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CAS Number

137780-69-9

MDL Number

MFCD03094421

Purity

97%

Smiles

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

Chemical Information

Perfluoro-3,6-dioxadecanoic acid

CAS Number	137780-69-9
PubChem CID	2778677
IUPAC Name	2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetic acid
Molecular Formula	C8HF15O4
Molecular Weight	446.07
XLogP	5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	565

SMILES

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

InChI

InChI=1S/C8HF15O4/c9-2(10,1(24)25)26-7(20,21)8(22,23)27-6(18,19)4(13,14)3(11,12)5(15,16)17/h(H,24,25)

InChIKey

PPSAKBBLKCJDCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 137780-69-9

CID: 2778677

Formula: C8HF15O4

MW: 446.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	446.07
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	8
Exact Mass	445.9635309
Monoisotopic Mass	445.9635309
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	565
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
PC56145	Perfluoro (3,6-dioxaoctanoic acid)
PC5519-01	Perfluoro-3,6-dioxaheptanoic acid
PC2972-01	Perfluoro-3,6,9-trioxadecanoic acid
PC1737-01	Perfluoro-3,6,9-trioxatridecanoic acid
PC6853-01	Perfluoro-3,5,6-trichlorohexanoic acid
PC10622-01	Perfluoro-3-methoxypropanoic acid
PC28311-01	7H-Perfluoro-4-methyl-3,6-dioxaoctanesulfonic acid
PC99180	Perfluoro-2,5-dimethyl-3,6-dioxaheptanoic acid
PC8914	Perfluoro-3,6-dioxaoctane-1,8-dioic acid
PC107893	Ammonium perfluoro-3,6-dioxaoctanoate

Catalog	Name
sc-257986	Perfluoro-3,6-dioxadecanoic acid
TRC-P999323-500MG	Perfluoro-3,6-dioxaheptanoic Acid
FP84485-01	Perfluoro-3,6,9-trioxatridecanoic acid
sc-264018	Perfluoro-3,6,9-trioxadecanoic acid
TRC-P999313-500MG	Perfluoro-3-methoxypropanoic Acid
TRC-P286243-50MG	Perfluoro-2,5-dimethyl-3,6-dioxanonanoic Acid
sc-264017A	Perfluoro-3,6-dioxaoctane-1,8-dioic acid
AR-P30884-01	Perfluoro-3-methoxypropanoic Acid (PFMOPrA)
sc-257989	Perfluoro (3,7-dimethyloctanoic acid)
AR-P30905-01	Perfluoro-3,7-Dimethyloctanoic Acid