trans-N-Boc-4-Fluoro-3-hydroxypyrrolidine - CAS 869481-93-6

Catalog:	BB038134
Product Name:	trans-N-Boc-4-Fluoro-3-hydroxypyrrolidine
CAS:	869481-93-6
Synonyms:	(3S,4S)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3S,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl (3S,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate
Description:	trans-N-Boc-4-Fluoro-3-hydroxypyrrolidine (CAS# 869481-93-6) is a useful research chemical.
Molecular Weight:	205.23
Molecular Formula:	C9H16FNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C(C1)F)O
InChI:	InChI=1S/C9H16FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3/t6-,7-/m0/s1
InChI Key:	KTBDFQPHEPDHQW-BQBZGAKWSA-N
LogP:	0.87400

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning 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]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	205.11142153
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.11142153
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7