chempirical

tert-Butyl 4,4-difluoropiperidine-1-carboxylate

C10H17F2NO2CAS 281652-10-6221.25 g/mol

Open in Covalent MOL file
OONFF
Alkyl halideCarbamate

Properties

Molecular formula
C10H17F2NO2
Molar mass
221.25 g/mol
Exact mass
221.1227 Da
logP
2.65Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
281652-10-6
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(F)F
InChIKey
HHBBBPZPEBZLII-UHFFFAOYSA-N
InChI
InChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-6-4-10(11,12)5-7-13/h4-7H2,1-3H3

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Work with tert-Butyl 4,4-difluoropiperidine-1-carboxylate

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

1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate1255666-59-169 % similar 1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-165 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-965 % similar tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-663 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-863 % similar 1-Boc-4-methyl-piperidin-4-OL406235-30-163 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-863 % similar tert-Butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate203661-69-261 % similar

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

Elsewhere

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