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3'-(Dimethylamino)-2,2,2-trifluoroacetophenone

3'-(Dimethylamino)-2,2,2-trifluoroacetophenone - CAS 33284-23-0

Catalog:	BB021653
Product Name:	3'-(Dimethylamino)-2,2,2-trifluoroacetophenone
CAS:	33284-23-0
Synonyms:	1-[3-(dimethylamino)phenyl]-2,2,2-trifluoroethanone; 1-[3-(dimethylamino)phenyl]-2,2,2-trifluoroethanone

Technical Data

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Computed Properties

IUPAC Name:	1-[3-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
Description:	3'-(Dimethylamino)-2,2,2-trifluoroacetophenone (CAS# 33284-23-0 ) is a useful research chemical.
Molecular Weight:	217.19
Molecular Formula:	C10H10F3NO
Canonical SMILES:	CN(C)C1=CC=CC(=C1)C(=O)C(F)(F)F
InChI:	InChI=1S/C10H10F3NO/c1-14(2)8-5-3-4-7(6-8)9(15)10(11,12)13/h3-6H,1-2H3
InChI Key:	ZMHBSXYQECXIJY-UHFFFAOYSA-N
Boiling Point:	262.6 °C at 760 mmHg
Density:	1.238 g/cm³
LogP:	2.49760

Publication Number	Title	Priority Date
WO-02072025-A2	Improving postsynaptic response by a combination of 4-minopyridine and agonist	20010314
AU-701911-B2	Method of treating and diagnosing sleep disordered breathing and means for carrying out the method	19951219
CA-2240717-C	Method of treating and diagnosing sleep disordered breathing and means for carrying out the method	19951219
DE-69635459-T2	ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT AND DIAGNOSIS OF BREATHTURES DURING SLEEPING	19951219
EP-0923370-A2	Method of treating and diagnosing sleep disordered breathing and means for carrying out the method	19951219

PMID	Publication Date	Title	Journal
16570913	20060406	Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine	Journal of medicinal chemistry

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.07144843
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.07144843
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3