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(E)-4-(Dimethylamino)-1,1,1-trifluoro-3-buten-2-one

(E)-4-(Dimethylamino)-1,1,1-trifluoro-3-buten-2-one - CAS 127223-93-2

Catalog:	BB006746
Product Name:	(E)-4-(Dimethylamino)-1,1,1-trifluoro-3-buten-2-one
CAS:	127223-93-2
Synonyms:	(E)-4-(dimethylamino)-1,1,1-trifluoro-3-buten-2-one; (E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
Description:	(E)-4-(Dimethylamino)-1,1,1-trifluoro-3-buten-2-one (CAS# 127223-93-2 ) is a useful research chemical.
Molecular Weight:	167.13
Molecular Formula:	C6H8F3NO
Canonical SMILES:	CN(C)C=CC(=O)C(F)(F)F
InChI:	InChI=1S/C6H8F3NO/c1-10(2)4-3-5(11)6(7,8)9/h3-4H,1-2H3/b4-3+
InChI Key:	OPFMBYIQGSJDOB-ONEGZZNKSA-N
Solubility:	17.9 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00764476
LogP:	1.19310

Publication Number	Title	Priority Date
CN-112574221-A	Tetracyclic pyrimidinone compounds, preparation method, composition and application thereof	20190930
WO-2021063145-A1	Tetracyclic pyrimidinone compound, preparation method therefor, and composition and use thereof	20190930
EP-3605699-A1	New components for electrolyte compositions	20180731
KR-20200069299-A	1-(4-(isoxazol-5-yl)-1H-pyrazol-1-yl)-2-methylpropan-2- as an IL-17 and IFN-gamma inhibitor to treat autoimmune diseases and chronic inflammation All derivatives and related compounds	20170906
US-2019031616-A1	Halogen substituted diketones, pyrazole compounds and processes for the manufacture of pyrazole compounds	20160128

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	167.05579836
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.05579836
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4