tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate

C₁₀H₁₇F₂NO₃CAS 1209780-71-1237.25 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Carbamate

Properties

Molecular formula: C₁₀H₁₇F₂NO₃
Molar mass: 237.25 g/mol
Exact mass: 237.1176 Da
logP: 1.62Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1209780-71-1

SMILES

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

InChIKey

GISYXRBCSOIMTM-UHFFFAOYSA-N

InChI

InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h7,14H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

1-Piperidinecarboxylic acid, 3,3-difluoro-4-hydroxy-, 1,1-dimethylethyl ester

Work with tert-Butyl 3,3-difluoro-4-hydroxypiperidine-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-4-hydroxy-1-pyrrolidinecarboxylate1434141-81-775 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-259 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-556 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-956 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-056 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-654 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-854 % similar 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook