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

(E)-4-Amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one - CAS 128648-60-2

Name: (E)-4-Amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006919
Product Name:	(E)-4-Amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one
CAS:	128648-60-2
Synonyms:	(E)-4-amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one; (E)-4-amino-4-ethoxy-1,1,1-trifluorobut-3-en-2-one

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Computed Properties

IUPAC Name:	(E)-4-amino-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
Description:	(E)-4-Amino-4-ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS# 128648-60-2 ) is a useful research chemical.
Molecular Weight:	183.13
Molecular Formula:	C6H8F3NO2
Canonical SMILES:	CCOC(=CC(=O)C(F)(F)F)N
InChI:	InChI=1S/C6H8F3NO2/c1-2-12-5(10)3-4(11)6(7,8)9/h3H,2,10H2,1H3/b5-3+
InChI Key:	UELADEJAOQURQK-HWKANZROSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	1.65470

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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

Publication Number	Title	Priority Date
AU-2016222278-A1	Sulfonylureas and related compounds and use of same	20150216
AU-2020203464-A1	Sulfonylureas and related compounds and use of same	20150216
CA-2975192-A1	Sulfonylureas and related compounds and use of same	20150216
EP-3259253-A1	Sulfonylureas and related compounds and use of same	20150216
EP-3259253-B1	Sulfonylureas and related compounds and use of same	20150216

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	183.05071298
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.05071298
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7