Dimethyl difluoromalonate

CAT: 0024-sc-326855Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-326855Size:1 g

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CAS Number

379-95-3

Chemical Information

Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester

CAS Number	379-95-3
PubChem CID	73945
IUPAC Name	dimethyl 2,2-difluoropropanedioate
Molecular Formula	C5H6F2O4
Molecular Weight	168.10
XLogP	0.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	159

SMILES

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

InChI

InChI=1S/C5H6F2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3

InChIKey

NHTZDSRSPCFQCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 379-95-3

CID: 73945

Formula: C5H6F2O4

MW: 168.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.10
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	168.02341499
Monoisotopic Mass	168.02341499
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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-268903	Diethyl difluoromalonate
sc-268930	Dimethyl 2,2-dimethyl-malonate
sc-496643	Dimethyl Isopropylidenemalonate
sc-285438A	Dimethyl hexadecafluorosebacate
sc-223945	Dimethyl acetylsuccinate
sc-474838	Dimethyl Tetradecanedioate
sc-263093	Dimethyl pyridineboronate
sc-285440A	Dimethyl tetradecafluoroazelate
sc-255106	Dimethyl glutarate
sc-234737	Dimethyl glutaconate

Catalog	Name
PC408111-01	Dimethyl difluoromalonate
446830-01	Diethyl difluoromalonate
PC3428-01	Diethyl 2,2-difluoromalonate
FD62526	Dimethyl Phthalate
FD40109-01	Dimethyl glutarate
FD34694-01	Dimethyl chlorothiophosphate
FD06000	Dimethyl epipodophyllotoxin
BAA73179-01	Dimethyl Dodecanedioate
HDA49160	Dimethyl Cyclopentylmalonate
FAA01830-01	Dimethyl Methoxymalonate