Ethyl 2-fluoropropionate

CAT: 0127-PC9352-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC9352-01Size:5 g

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CAS Number

349-43-9

Synonyms

Ethyl 2-fluoropropanoate

MDL Number

MFCD01320801

Purity

97%

Smiles

CCOC(=O)C(C)F

Chemical Information

Ethyl 2-Fluoropropionate

CAS Number	349-43-9
PubChem CID	265947
IUPAC Name	ethyl 2-fluoropropanoate
Molecular Formula	C5H9FO2
Molecular Weight	120.12
XLogP	0.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	82

SMILES

CCOC(=O)C(C)F

InChI

InChI=1S/C5H9FO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3

InChIKey

ODMITNOQNBVSQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 349-43-9

CID: 265947

Formula: C5H9FO2

MW: 120.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	120.12
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	120.05865769
Monoisotopic Mass	120.05865769
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC450159-01	Methyl (R) -2-fluoropropionate
PC450044	Methyl (S) -2-fluoropropionate
PC1001862-01	Ethyl (s) -2-fluoropropanoate
PC450269-01	Ethyl (2R) -2-fluoropropanoate
PC1005490-01	Ethyl 2-bromo-2-fluoropropanoate
OR1078287-01	Ethyl 2-Ethyl-2-methylacetoacetate
PC107990	Ethyl 2- (2,2,2-trifluoroethoxy) ethyl ether
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
OR1068962-01	Ethyl 2-ethyl-4-oxocyclopentanecarboxylate
OR1089356-01	Ethyl 4-ethyl-2-formylbenzoate

Catalog	Name
TRC-E917965-100G	Ethyl 2-Fluoropropionate
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