1-Boc-3,3-difluoro-4-hydroxypyrrolidine - CAS 1434141-81-7

Catalog:	BB009593
Product Name:	1-Boc-3,3-difluoro-4-hydroxypyrrolidine
CAS:	1434141-81-7
Synonyms:	3,3-difluoro-4-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate
Description:	1-Boc-3,3-difluoro-4-hydroxypyrrolidine (CAS# 1434141-81-7) is a useful research chemical.
Molecular Weight:	223.22
Molecular Formula:	C9H15F2NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C(C1)(F)F)O
InChI:	InChI=1S/C9H15F2NO3/c1-8(2,3)15-7(14)12-4-6(13)9(10,11)5-12/h6,13H,4-5H2,1-3H3
InChI Key:	MKRJRMARSARGCB-UHFFFAOYSA-N
LogP:	1.17120

Publication Number	Title	Priority Date
WO-2021081375-A1	Inhibitors of raf kinases	20191024
US-11098031-B1	Inhibitors of RAF kinases	20191024
US-2021300904-A1	Inhibitors of raf kinases	20191024
WO-2020252222-A1	Progranulin modulators and methods of using the same	20190612
WO-2019148005-A1	Inhibitors of cbl-b and methods of use thereof	20180126

PMID	Publication Date	Title	Journal
19010685	20090315	Engineered production of iso-migrastatin in heterologous Streptomyces hosts	Bioorganic & medicinal chemistry

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Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.10199966
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.10199966
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9