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2-{[(tert-Butoxy)carbonyl]amino}-5,5,5-trifluoropentanoic Acid

2-{[(tert-Butoxy)carbonyl]amino}-5,5,5-trifluoropentanoic Acid - CAS 1454913-78-0

Name: 2-{[(tert-Butoxy)carbonyl]amino}-5,5,5-trifluoropentanoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB070871
Product Name:	2-{[(tert-Butoxy)carbonyl]amino}-5,5,5-trifluoropentanoic Acid
CAS:	1454913-78-0
Synonyms:	2-{[(tert-butoxy)carbonyl]amino}-5,5,5-trifluoropentanoic acid; 5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid; 2-((tert-butoxycarbonyl)amino)-5,5,5-trifluoropentanoic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular Weight:	271.23
Molecular Formula:	C10H16F3NO4
Canonical SMILES:	CC(C)(C)OC(=O)NC(CCC(F)(F)F)C(=O)O
InChI:	InChI=1S/C10H16F3NO4/c1-9(2,3)18-8(17)14-6(7(15)16)4-5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:	YRXRZBPEGLIKRH-UHFFFAOYSA-N

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.10314248
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	271.10314248
Rotatable Bond Count:	6
Topological Polar Surface Area:	75.6Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4