1,1-Dimethylethyl 3,3-difluoro-4-hydroxy-1-pyrrolidinecarboxylate

C₉H₁₅F₂NO₃CAS 1434141-81-7223.22 g/mol

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Alcohol Alkyl halide Carbamate

Properties

Molecular formula: C₉H₁₅F₂NO₃
Molar mass: 223.22 g/mol
Exact mass: 223.1020 Da
logP: 1.23Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

1434141-81-7

SMILES

CC(C)(C)OC(=O)N1CC(O)C(F)(F)C1

InChIKey

MKRJRMARSARGCB-UHFFFAOYSA-N

InChI

InChI=1S/C9H15F2NO3/c1-8(2,3)15-7(14)12-4-6(13)9(10,11)5-12/h6,13H,4-5H2,1-3H3

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Names and synonyms

3 names

1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-hydroxy-, 1,1-dimethylethyl ester
tert-Butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate
1-Boc-3,3-difluoro-4-hydroxypyrrolidine

Work with 1,1-Dimethylethyl 3,3-difluoro-4-hydroxy-1-pyrrolidinecarboxylate

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

tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate1209780-71-175 % similar 1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate1255666-59-154 % similar Rel-1,1-dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate869481-93-652 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-051 % similar tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-851 % similar 4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-250 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-250 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-650 % similar

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

Elsewhere

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