tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate - CAS 211108-50-8

Name: tert-Butyl 3-fluoro-4-oxopiperidine-1-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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