N-Boc-3,3-difluoropiperidin-4-one - CAS 1215071-17-2

Catalog:	BB005184
Product Name:	N-Boc-3,3-difluoropiperidin-4-one
CAS:	1215071-17-2
Synonyms:	3,3-difluoro-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate
Description:	N-Boc-3,3-difluoropiperidin-4-one (CAS# 1215071-17-2) is a useful research chemical.
Molecular Weight:	235.23
Molecular Formula:	C10H15F2NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)C(C1)(F)F
InChI:	InChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-6H2,1-3H3
InChI Key:	GDZBFUOJMJSIAZ-UHFFFAOYSA-N
Appearance:	White to yellow solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD16140378
LogP:	1.76950

Publication Number	Title	Priority Date
WO-2021178920-A1	Compounds for targeted degradation of brd9	20200305
WO-2021133809-A1	Inhibitors of mutant forms of egfr	20191223
WO-2021127561-A1	Isoindolinone and indazole compounds for the degradation of egfr	20191220
WO-2021126728-A1	Prmt5 inhibitors	20191217
WO-2021126729-A1	Prmt5 inhibitors	20191217

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Related Functional Groups

Piperidones

[52763-21-0]
Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride
[1303968-37-7]
2,2-Dimethyl-4-piperidone Hydrochloride
[324769-06-4]
N-Boc-3,3-dimethyl-4-piperidone
[396731-40-1]
N-Boc-3,5-dioxopiperidine
[188869-05-8]
N-Boc-3-bromo-4-oxopiperidine
[1782749-88-5]
2-(3-Bromobenzyl)-3-piperidinone

Complexity:	310
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.10199966
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.10199966
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3