Ethyl 3,3,3-trifluoropropionate

C5H7F3O2CAS 352-23-8156.10 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEster

Properties

Molecular formula
C5H7F3O2
Molar mass
156.10 g/mol
Exact mass
156.0398 Da
logP
1.50Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
352-23-8
SMILES
CCOC(=O)CC(F)(F)F
InChIKey
FMDMKDPUFQNVSH-UHFFFAOYSA-N
InChI
InChI=1S/C5H7F3O2/c1-2-10-4(9)3-5(6,7)8/h2-3H2,1H3

Weigh it out

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

Work with Ethyl 3,3,3-trifluoropropionate

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 4,4,4-trifluorobutyrate371-26-666 % similar 4,4-Difluoroheptanedioic acid diethyl ester22515-16-855 % similar Diethyl malonate105-53-354 % similar Diethyl succinate123-25-154 % similar Ethyl fluoroacetate459-72-354 % similar Ethyl 4,4,4-trifluoroacetoacetate372-31-653 % similar Fructone6413-10-153 % similar Ethyl propionate105-37-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4,4-Trifluoro-3-methylbutanoic acid348-75-4 Isopropyl trifluoroacetate400-38-4 3,3,3-Trifluoro-2,2-dimethylpropanoic acid889940-13-0 4,4,4-Trifluoro-2-methylbutanoic acid99783-23-0

Elsewhere

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