(S)-1-Boc-3-fluoropyrrolidine - CAS 479253-00-4

Catalog:	BB026430
Product Name:	(S)-1-Boc-3-fluoropyrrolidine
CAS:	479253-00-4
Synonyms:	tert-butyl (3S)-3-fluoropyrrolidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl (3S)-3-fluoropyrrolidine-1-carboxylate
Description:	(S)-1-Boc-3-fluoropyrrolidine (CAS# 479253-00-4 ) is a useful research chemical.
Molecular Weight:	189.23
Molecular Formula:	C9H16FNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)F
InChI:	InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:	SUECTKVSIDXQQE-ZETCQYMHSA-N
Boiling Point:	287.4 °C at 760 mmHg
Density:	1.388 g/cm³
Appearance:	Liquid
MDL:	MFCD04114064
LogP:	1.90320

Publication Number	Title	Priority Date
CN-112341464-A	Halogen-substituted Latricinib compound	20201015
WO-2021148805-A1	Topical pharmaceutical compositions comprising imidazo[1,2-b]pyridazine compounds	20200122
WO-2020146613-A1	Kras g12c inhibitors	20190110
WO-2020039209-A1	Imidazo[1,2-b]pyridazines as trk inhibitors	20180823
AU-2019325375-A1	Imidazo[1,2-b]pyridazines as Trk inhibitors	20180823

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P391, P405, and P501
Signal Word:	Danger

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	189.11650692
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.11650692
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7