Dimethyl perfluoroglutarate

CAT: 0127-PC3015M-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-PC3015M-01Size:10 g

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CAS Number

1513-62-8

Synonyms

Dimethyl hexafluoroglutarate, Dimethyl hexafluoropentane-1,5-dioate, Dimethyl hexafluoropropane-1,3-dicarboxylate

MDL Number

MFCD00155851

Purity

98%

Smiles

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

Chemical Information

Dimethyl hexafluoroglutarate

used to link carbohydrates to antibodies; structure given in first source

CAS Number	1513-62-8
PubChem CID	123116
IUPAC Name	dimethyl 2,2,3,3,4,4-hexafluoropentanedioate
Molecular Formula	C7H6F6O4
Molecular Weight	268.11
XLogP	2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	296

SMILES

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

InChI

InChI=1S/C7H6F6O4/c1-16-3(14)5(8,9)7(12,13)6(10,11)4(15)17-2/h1-2H3

InChIKey

PJZVBCPDYSZAJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1513-62-8

CID: 123116

Formula: C7H6F6O4

MW: 268.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.11
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	268.01702764
Monoisotopic Mass	268.01702764
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	296
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
PC2566-01	Diethyl perfluoroglutarate
OR1078826-01	Dimethyl Acetal
OR1038822-01	Dimethyl acetamidomalonate
OR1063313-01	Dimethyl nonadecanedioate
OR1062620-01	Dimethyl mesitylboronate
BUP19902	Dimethyl phthalate
BUP18658	Dimethyl fumarate
OR1023395-01	Dimethyl Carbonotrithioate
BUP17679-01	Dimethyl Trisulfide
OR1042943-01	Dimethyl glutaconate

Catalog	Name
sc-268930	Dimethyl 2,2-dimethyl-malonate
GTR19203502-01	Chlorthal-dimethyl
GTR19201894	Dimethyl capramide
FD62526	Dimethyl Phthalate
FD40109-01	Dimethyl glutarate
FD34694-01	Dimethyl chlorothiophosphate
FD06000	Dimethyl epipodophyllotoxin
HDA49160	Dimethyl Cyclopentylmalonate
BAA73179-01	Dimethyl Dodecanedioate
FAA01830-01	Dimethyl Methoxymalonate