tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate - CAS 211108-50-8
Catalog: |
BB016615 |
Product Name: |
tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate |
CAS: |
211108-50-8 |
Synonyms: |
1-Piperidinecarboxylic acid, 3-fluoro-4-oxo-, 1,1-dimethylethyl ester; 1,1-Dimethylethyl 3-fluoro-4-oxo-1-piperidinecarboxylate; 3-Fluoro-4-oxopiperidine-1-carboxylic acid tert-butyl ester; tert-Butyl 3-fluoro-4-oxo-1-piperidinecarboxylate |
IUPAC Name: | tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate |
Molecular Weight: | 217.24 |
Molecular Formula: | C10H16FNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=O)C(C1)F |
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 |
InChI Key: | JZNWQLLPLOQGOI-UHFFFAOYSA-N |
Boiling Point: | 288.7±40.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.15±0.1 g/cm3 |
MDL: | MFCD10566554 |
LogP: | 1.47230 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021208918-A1 | Tricyclic compounds as egfr inhibitors | 20200414 |
WO-2021133809-A1 | Inhibitors of mutant forms of egfr | 20191223 |
WO-2021127561-A1 | Isoindolinone and indazole compounds for the degradation of egfr | 20191220 |
WO-2021104441-A1 | Polyaromatic compound as egfr kinase inhibitor | 20191129 |
WO-2021089683-A1 | Inhibitors of adrenoreceptor adrac2 | 20191106 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.11142153 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.11142153 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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