chempirical

1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate

C8H13F2NO2CAS 1255666-59-1193.19 g/mol

Open in Covalent MOL file
OONFF
Alkyl halideCarbamate

Properties

Molecular formula
C8H13F2NO2
Molar mass
193.19 g/mol
Exact mass
193.0914 Da
logP
1.87Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1255666-59-1
SMILES
CC(C)(C)OC(=O)N1CC(F)(F)C1
InChIKey
GJXFELMSTZXKLU-UHFFFAOYSA-N
InChI
InChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-4-8(9,10)5-11/h4-5H2,1-3H3

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Names and synonyms

1 names
  • 1-Azetidinecarboxylic acid, 3,3-difluoro-, 1,1-dimethylethyl ester

Work with 1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate

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

3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-961 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-359 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-559 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-958 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-456 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-156 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-856 % similar 1,1-Dimethylethyl 3-(aminomethyl)-3-hydroxy-1-azetidinecarboxylate1008526-71-354 % similar

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

Elsewhere

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