1,1,1-Trifluoro-3-(2-thienyl)-2-propanone - CAS 14529-33-0

Catalog:	BB009917
Product Name:	1,1,1-Trifluoro-3-(2-thienyl)-2-propanone
CAS:	14529-33-0
Synonyms:	1,1,1-trifluoro-3-thiophen-2-yl-2-propanone; 1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one

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Computed Properties

IUPAC Name:	1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one
Description:	1,1,1-Trifluoro-3-(2-thienyl)-2-propanone (CAS# 14529-33-0 ) is a useful research chemical.
Molecular Weight:	194.17
Molecular Formula:	C7H5F3OS
Canonical SMILES:	C1=CSC(=C1)CC(=O)C(F)(F)F
InChI:	InChI=1S/C7H5F3OS/c8-7(9,10)6(11)4-5-2-1-3-12-5/h1-3H,4H2
InChI Key:	NBKNXYCQJHKJEU-UHFFFAOYSA-N
LogP:	2.42200

Publication Number	Title	Priority Date
US-2016258936-A1	Method for analyzing gas samples	20131023
WO-2015059363-A1	Method for analyzing gas samples	20131023
EP-2841943-A1	Method for characterizing and/or determining samples	20120424
WO-2013160547-A1	Method for characterizing and/or determining samples	20120424
US-2015094234-A1	Method for characterizing and/or determining samples	20120423

PMID	Publication Date	Title	Journal
15766202	20040601	[Study on the Eu-containing coordination polymer. I. Structural characterization of Eu (III)-thienyltrifluroacetone-poly (styrene-acrylic acid)]	Guang pu xue yu guang pu fen xi = Guang pu

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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.00132044
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.00132044
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4