Ethyl 3-amino-4,4,4-trifluorobutyrate

C₆H₁₀F₃NO₂CAS 170804-18-9185.15 g/mol

Open in Covalent MOL file

Alkyl halide Ester Primary amine

Properties

Molecular formula: C₆H₁₀F₃NO₂
Molar mass: 185.15 g/mol
Exact mass: 185.0664 Da
logP: 0.83Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

170804-18-9

SMILES

CCOC(=O)CC(C(F)(F)F)N

InChIKey

KGUOZZWGWBBRRF-UHFFFAOYSA-N

InChI

InChI=1S/C6H10F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h4H,2-3,10H2,1H3

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Names and synonyms

1 names

Ethyl 3-amino-4,4,4-trifluorobutanoate

Work with Ethyl 3-amino-4,4,4-trifluorobutyrate

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-trifluoro-3-hydroxybutanoate372-30-561 % similar Ethyl 4,4,4-trifluorobutyrate371-26-654 % similar Ethyl isovalerate108-64-550 % similar 4,4-Difluoroheptanedioic acid diethyl ester22515-16-850 % similar Ethyl 3,3-diethoxypropionate10601-80-649 % similar Diethyl 3-hydroxyglutarate32328-03-349 % similar Ethyl 3,3,3-trifluoropropionate352-23-849 % similar L-Aspartic acid diethyl ester hydrochloride16115-68-748 % similar

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

Same formula

5,5,5-Trifluoroleucine2792-72-5

Elsewhere

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