3-(2,2,2-Trifluoroethoxy)piperidine - CAS 1000931-80-5
Catalog: |
BB000074 |
Product Name: |
3-(2,2,2-Trifluoroethoxy)piperidine |
CAS: |
1000931-80-5 |
Synonyms: |
3-(2,2,2-trifluoroethoxy)piperidine; 3-(2,2,2-trifluoroethoxy)piperidine |
IUPAC Name: | 3-(2,2,2-trifluoroethoxy)piperidine |
Description: | 3-(2,2,2-Trifluoroethoxy)piperidine (CAS# 1000931-80-5) is used as a reactant in the preparation of substituted fused tricyclic compounds as JAK kinase inhibitors useful in treatment and prophylaxis of JAK kinase-mediated diseases. |
Molecular Weight: | 183.17 |
Molecular Formula: | C7H12F3NO |
Canonical SMILES: | C1CC(CNC1)OCC(F)(F)F |
InChI: | InChI=1S/C7H12F3NO/c8-7(9,10)5-12-6-2-1-3-11-4-6/h6,11H,1-5H2 |
InChI Key: | LGGONXZZCBEARG-UHFFFAOYSA-N |
LogP: | 1.64610 |
Publication Number | Title | Priority Date |
WO-2021089683-A1 | Inhibitors of adrenoreceptor adrac2 | 20191106 |
CA-2968464-A1 | Substituted pyridobenzodiazepinone-derivatives and use thereof | 20141125 |
EP-3223821-A1 | Substituted pyridobenzodiazepinone-derivatives and use thereof | 20141125 |
JP-2017535573-A | Substituted pyridobenzodiazepinone derivatives and uses thereof | 20141125 |
US-10047096-B2 | Substituted pyridobenzodiazepinone-derivatives and use thereof | 20141125 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.08709849 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.08709849 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 21.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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