chempirical

N-Boc-4,4-difluoro-L-proline methyl ester

C11H17F2NO4CAS 203866-17-5265.26 g/mol

Open in Covalent MOL file
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Alkyl halideCarbamateEster

Properties

Molecular formula
C11H17F2NO4
Molar mass
265.26 g/mol
Exact mass
265.1126 Da
logP
1.80Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

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
203866-17-5
SMILES
COC(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C
InChIKey
RQDZKOOUQIDZOG-ZETCQYMHSA-N
InChI
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(16)14-6-11(12,13)5-7(14)8(15)17-4/h7H,5-6H2,1-4H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 1-(1,1-Dimethylethyl) 2-methyl (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate
  • 1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-
  • tert-Butyl (2S)-2-(methoxycarbonyl)-4,4-difluoropyrrolidine-1-carboxylate
  • 1-tert-Butyl 2-methyl (S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
  • 1-tert-Butyl 2-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
  • 1-O-tert-Butyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate
  • (S)-1-tert-Butyl 2-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
  • 1,2-Pyrrolidinedicarboxylic acid 4,4-difluoro-, 1-(1,1-dimethylethyl) 2-methyl ester (2S)-

Work with N-Boc-4,4-difluoro-L-proline methyl ester

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

(2S)-1-[(tert-Butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid203866-15-367 % similar Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-561 % similar 1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-259 % similar (R)-1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate256487-77-159 % similar Boc-L-pro-ome59936-29-759 % similar Boc-D-pro-ome73323-65-659 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-16-458 % similar (2S,4R)-1-tert-Butyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate203866-18-658 % similar

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

Elsewhere

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