Perfluoroadipic acid

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CAT#:0127-PC5320-02Size:1 g

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CAS Number

336-08-3

Synonyms

Octafluoroadipic acid, Octafluorohexane-1,6-dioic acid, Octafluorobutane-1,4-dicarboxylic acid

MDL Number

MFCD00066405

Purity

97%

Smiles

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

Chemical Information

Octafluoroadipic acid

CAS Number	336-08-3
PubChem CID	67640
IUPAC Name	2,2,3,3,4,4,5,5-octafluorohexanedioic acid
Molecular Formula	C6H2F8O4
Molecular Weight	290.06
XLogP	2
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	340

SMILES

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

InChI

InChI=1S/C6H2F8O4/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18/h(H,15,16)(H,17,18)

InChIKey

AXRSOGFYDSXLQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 336-08-3

CID: 67640

Formula: C6H2F8O4

MW: 290.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.06
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	289.98253384
Monoisotopic Mass	289.98253384
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	340
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
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BIF6400-01	Fusidic acid, free acid
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BIPG1004-01	Acid-PEG2-SS-PEG2-Acid
BIPG1007-01	Acid-PEG6-SS-PEG6-Acid
OR1076924-01	Chenodeoxycholic Acid Impurity 1; Allochenodeoxycholic Acid
BIPG1006-01	Acid-PEG4-S-S-PEG4-Acid
PC1026939-01	Tafluprost acid

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