tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate

C₁₀H₁₆FNO₃CAS 211108-50-8217.24 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate Ketone

Properties

Molecular formula: C₁₀H₁₆FNO₃
Molar mass: 217.24 g/mol
Exact mass: 217.1114 Da
logP: 1.53Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

211108-50-8

SMILES

CC(C)(C)OC(=O)N1CCC(=O)C(F)C1

InChIKey

JZNWQLLPLOQGOI-UHFFFAOYSA-N

InChI

InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3

Weigh it out

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Names and synonyms

4 names

1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate
1-Piperidinecarboxylic acid, 3-fluoro-4-oxo-, 1,1-dimethylethyl ester
tert-Butyl 3-fluoro-4-oxo-1-piperidinecarboxylate
3-Fluoro-4-oxopiperidine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 3-fluoro-4-oxopiperidine-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

tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-268 % similar 3-Bromo-4-oxo-piperidine-1-carboxylic acid tert-butyl ester188869-05-866 % similar tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate914988-10-661 % similar 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate161491-24-360 % similar 1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate98977-34-557 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-354 % similar tert-Butyl (R)-3-formylpyrrolidine-1-carboxylate191347-94-153 % similar (S)-tert-Butyl 3-formylpyrrolidine-1-carboxylate191348-04-653 % similar

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

Elsewhere

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