Dimethyl tetradecafluoroazelate

CAT: 0024-sc-285440ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285440ASize:25 g

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CAS Number

22116-90-1

Chemical Information

Dimethyl perfluoroazelate

CAS Number	22116-90-1
PubChem CID	547668
IUPAC Name	dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononanedioate
Molecular Formula	C11H6F14O4
Molecular Weight	468.14
XLogP	4.7
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	10
Heavy Atom Count	29
Formal Charge	0
Complexity	602

SMILES

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

InChI

InChI=1S/C11H6F14O4/c1-28-3(26)5(12,13)7(16,17)9(20,21)11(24,25)10(22,23)8(18,19)6(14,15)4(27)29-2/h1-2H3

InChIKey

HJMVOOGDJCOYSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22116-90-1

CID: 547668

Formula: C11H6F14O4

MW: 468.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	468.14
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	10
Exact Mass	468.0042529
Monoisotopic Mass	468.0042529
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	602
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-268930	Dimethyl 2,2-dimethyl-malonate
sc-496643	Dimethyl Isopropylidenemalonate
sc-326855A	Dimethyl difluoromalonate
sc-285438A	Dimethyl hexadecafluorosebacate
sc-223945	Dimethyl acetylsuccinate
sc-474838	Dimethyl Tetradecanedioate
sc-263093	Dimethyl pyridineboronate
sc-255106	Dimethyl glutarate
sc-234737	Dimethyl glutaconate
sc-481488	Dimethyl nitromalonate

Catalog	Name
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
HY-128454-01	Dimethyl trisulfide