(R)-1-Boc-3-fluoropyrrolidine - CAS 876617-25-3

Catalog:	BB038575
Product Name:	(R)-1-Boc-3-fluoropyrrolidine
CAS:	876617-25-3
Synonyms:	(3R)-3-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-fluoropyrrolidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (3R)-3-fluoropyrrolidine-1-carboxylate
Description:	(R)-1-Boc-3-fluoropyrrolidine (CAS# 876617-25-3) 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-/m1/s1
InChI Key:	SUECTKVSIDXQQE-SSDOTTSWSA-N
Boiling Point:	230.4 °C at 760 mmHg
Density:	1.08 g/cm³
Appearance:	Liquid
LogP:	1.90320

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Related Functional Groups

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[5747-92-2]
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[60298-18-2]
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[104253-38-5]
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[478700-27-5]
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, 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