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

Technical Data

Patents

Computed Properties

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

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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