1-Boc-4-fluoro-3-pyrrolidinone - CAS 845894-03-3

Catalog:	BB037259
Product Name:	1-Boc-4-fluoro-3-pyrrolidinone
CAS:	845894-03-3
Synonyms:	3-fluoro-4-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate
Description:	1-Boc-4-fluoro-3-pyrrolidinone (CAS# 845894-03-3) is a useful research chemical.
Molecular Weight:	203.21
Molecular Formula:	C9H14FNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C(=O)C1)F
InChI:	InChI=1S/C9H14FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6H,4-5H2,1-3H3
InChI Key:	HPHVNLXMQXEDFX-UHFFFAOYSA-N
Boiling Point:	269.6 °C at 760 mmHg
Density:	1.18 g/cm³
MDL:	MFCD08274459
LogP:	1.08220

Publication Number	Title	Priority Date
WO-2021081272-A1	Progranulin modulators and methods of using the same	20191025
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
AU-2013243020-A1	Cyclic amides as MetAP-2 inhibitors	20120404
AU-2013243020-B2	Cyclic amides as MetAP-2 inhibitors	20120404
CA-2869337-A1	Cyclic amides as metap-2 inhibitors	20120404

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Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.09577147
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.09577147
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1