chempirical

Ethyl 2-fluoropropionate

C5H9FO2CAS 127306-59-6120.12 g/mol

Open in Covalent MOL file
OOF
Alkyl halideEster

Properties

Molecular formula
C5H9FO2
Molar mass
120.12 g/mol
Exact mass
120.0587 Da
logP
0.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
127306-59-6
SMILES
CCOC(=O)C(C)F
InChIKey
ODMITNOQNBVSQG-UHFFFAOYSA-N
InChI
InChI=1S/C5H9FO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3

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Type any one amount. The others follow from the molar mass.

Work with Ethyl 2-fluoropropionate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl difluoroacetate454-31-963 % similar Diethyl fluoromalonate685-88-163 % similar Ethyl isobutyrate97-62-159 % similar Ethyl bromofluoroacetate401-55-857 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-455 % similar Ethyl cyclopropanecarboxylate4606-07-954 % similar Diethyl isobutylmalonate10203-58-453 % similar Ethyl 2-mercaptopropionate19788-49-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-fluoroisobutyrate338-76-1

Elsewhere

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