2-(Boc-amino)-4,4,4-trifluoro-1-butanol - CAS 454170-50-4

Catalog:	BB025855
Product Name:	2-(Boc-amino)-4,4,4-trifluoro-1-butanol
CAS:	454170-50-4
Synonyms:	N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamate
Description:	2-(Boc-amino)-4,4,4-trifluoro-1-butanol (CAS# 454170-50-4 ) is a useful research chemical.
Molecular Weight:	243.22
Molecular Formula:	C9H16F3NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC(CC(F)(F)F)CO
InChI:	InChI=1S/C9H16F3NO3/c1-8(2,3)16-7(15)13-6(5-14)4-9(10,11)12/h6,14H,4-5H2,1-3H3,(H,13,15)
InChI Key:	YQODVUUZNPHLQT-UHFFFAOYSA-N
LogP:	2.21530

Publication Number	Title	Priority Date
CA-2937529-A1	Aryl lactam kinase inhibitors	20140129
EA-028587-B1	Aryl lactam kinase inhibitors	20140129
EP-3099300-A1	Aryl lactam kinase inhibitors	20140129
EP-3099300-B1	Aryl lactam kinase inhibitors	20140129
JP-2017504630-A	Aryl lactam kinase inhibitor	20140129

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Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.10822786
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	243.10822786
Rotatable Bond Count:	5
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8