Diethyl tetrafluorosuccinate

CAT: 0127-PC4102-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC4102-01Size:1 g

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CAS Number

377-71-9

Synonyms

Tetrafluorosuccinic acid diethyl ester

MDL Number

MFCD00015155

Purity

97%

Smiles

CCOC (=O) C (F) (F) C (F) (F) C (=O) OCC

Chemical Information

Butanedioic acid, 2,2,3,3-tetrafluoro-, 1,4-diethyl ester

CAS Number	377-71-9
PubChem CID	67834
IUPAC Name	diethyl 2,2,3,3-tetrafluorobutanedioate
Molecular Formula	C8H10F4O4
Molecular Weight	246.16
XLogP	2.1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	249

SMILES

CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F

InChI

InChI=1S/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3

InChIKey

BLZSSBPZHBFNBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 377-71-9

CID: 67834

Formula: C8H10F4O4

MW: 246.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.16
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	246.05152144
Monoisotopic Mass	246.05152144
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	249
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
PC8643	Ammonium tetrafluorosuccinate
PC3016T-01	Dimethyl tetrafluorosuccinate
OR1078506-01	Diethyl Acetonylmalonate
OR1076845-01	Diethyl Tetradecanedioate
OR1030621-01	Diethyl Isobutylmalonate
BUP19722	Diethyl fumarate
OR1003470-01	Diethyl Cyclobutylidenemalonate
OR1012879	Diethyl succinate
BUP14825	Diethyl phosphate
OR1043911-01	Diethyl Azamalonate

Catalog	Name
sc-278960	Diethyl tetrafluorosuccinate
sc-285441A	Dimethyl tetrafluorosuccinate
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
M29411-01	Diethyl phthalate
M26667-01	Diethyl-pythiDC
M19661-01	Diethyl oxalpropionate
A9972-500	Diethyl phosphate