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

C9H15F2NO3CAS 1434141-81-7223.22 g/mol

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OONOHFF
AlcoholAlkyl halideCarbamate

Properties

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

Hazards

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

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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-N-Boc-3-hydroxyazetidine141699-55-056 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-656 % 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 3-formylazetidine-1-carboxylate177947-96-551 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-551 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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