Ethyl difluoroacetate

CAT: 0127-PC3200-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC3200-01Size:25 g

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CAS Number

454-31-9

Synonyms

Difluoroacetic acid ethyl ester, Ethyl 2,2-difluoroethanoate

MDL Number

MFCD00013578

Purity

96%

Smiles

CCOC(=O)C(F)F

Chemical Information

Ethyl difluoroacetate

CAS Number	454-31-9
PubChem CID	9961
IUPAC Name	ethyl 2,2-difluoroacetate
Molecular Formula	C4H6F2O2
Molecular Weight	124.09
XLogP	0.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	82

SMILES

CCOC(=O)C(F)F

InChI

InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

GZKHDVAKKLTJPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 454-31-9

CID: 9961

Formula: C4H6F2O2

MW: 124.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.09
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	124.03358575
Monoisotopic Mass	124.03358575
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.1
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
PC510329	Ethyl 2- (3-Bromophenyl) -2,2-difluoroacetate
PC111567-01	Ethyl 2- (4-butylphenyl) -2,2-difluoroacetate
PC100162-01	Ethyl 2- (4-bromophenyl) -2,2-difluoroacetate
PC510325	Ethyl 2- (2-Chlorophenyl) -2,2-difluoroacetate
PC510317	Ethyl 2- (4-Cyanophenyl) -2,2-difluoroacetate
PC510331	Ethyl 2- (2-Cyanophenyl) -2,2-difluoroacetate
PC510309	Ethyl 2- (4-Acetylphenyl) -2,2-difluoroacetate
PC1021977-01	Ethyl 2- (4-bromophenoxy) -2,2-difluoroacetate
PC510321	Ethyl 2- (3-Cyanophenyl) -2,2-difluoroacetate
PC53584-01	Ethyl 2- (4-Chlorophenyl) -2,2-difluoroacetate

Catalog	Name
449625-01	Ethyl difluoroacetate
TRC-E102999-25MG	Ethyl Difluoroacetate-13C2
E07560-01	Ethyl difluoroacetate 98%
237709-01	Ethyl difluoroacetate 99.5+%
FE104674-01	Ethyl 2-chloro-2,2-difluoroacetate
448711-01	Ethyl 2- (2-bromophenyl) -2,2-difluoroacetate
KKB06875-01	Ethyl 2- (3-Bromophenyl) -2,2-difluoroacetate
448763-01	Ethyl 2- (4-chlorophenyl) -2,2-difluoroacetate
KDC29031-01	Ethyl 2- (2-cyanophenyl) -2,2-difluoroacetate
DKC16011-01	Ethyl 2- (4-carbamoylphenoxy) -2,2-difluoroacetate