1-Boc-4-fluoro-4-formylpiperidine - CAS 614731-09-8

Catalog:	BB031127
Product Name:	1-Boc-4-fluoro-4-formylpiperidine
CAS:	614731-09-8
Synonyms:	4-fluoro-4-formyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-fluoro-4-formylpiperidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-fluoro-4-formylpiperidine-1-carboxylate
Description:	1-Boc-4-fluoro-4-formylpiperidine (CAS# 614731-09-8 ) is a useful research chemical.
Molecular Weight:	231.26
Molecular Formula:	C11H18FNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)(C=O)F
InChI:	InChI=1S/C11H18FNO3/c1-10(2,3)16-9(15)13-6-4-11(12,8-14)5-7-13/h8H,4-7H2,1-3H3
InChI Key:	GRSPYCFNEDACGF-UHFFFAOYSA-N
Boiling Point:	289.569 °C at 760 mmHg
Density:	1.129 g/cm³
LogP:	1.86240

Publication Number	Title	Priority Date
WO-2021055756-A1	Spirocyclic androgen receptor protein degraders	20190919
WO-2020100959-A1	1,3,4-oxadiazolone compound and medicine	20181115
CN-113302184-A	1,3, 4-oxadiazolinone compounds and drugs	20181115
EP-3882239-A1	1,3,4-oxadiazolone compound and medicine	20181115
JP-WO2020100959-A1	1,3,4-oxadiazolone compounds and pharmaceuticals	20181115

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.1270716
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.1270716
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3