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1-(5-Ethylthiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione

1-(5-Ethylthiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione - CAS 438222-02-7

Catalog:	BB045611
Product Name:	1-(5-Ethylthiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione
CAS:	438222-02-7
Synonyms:	1-(5-ethyl(2-thienyl))-4,4,4-trifluorobutane-1,3-dione

Technical Data

Computed Properties

IUPAC Name:	1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione
Description:	1-(5-Ethylthiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione (CAS# 438222-02-7 ) is a useful research chemical.
Molecular Weight:	250.24
Molecular Formula:	C10H9F3O2S
Canonical SMILES:	CCC1=CC=C(S1)C(=O)CC(=O)C(F)(F)F
InChI:	InChI=1S/C10H9F3O2S/c1-2-6-3-4-8(16-6)7(14)5-9(15)10(11,12)13/h3-4H,2,5H2,1H3
InChI Key:	YEPYLEXMJXIYKX-UHFFFAOYSA-N
Purity:	> 95 %

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

Fluorinated Building Blocks

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]
2,4-Difluorotoluene
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1879-16-9]
4-Methoxythioanisole
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Thiophenes

[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[315683-17-1]
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate
[40106-13-6]
Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.02753519
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.02753519
Rotatable Bond Count:	4
Topological Polar Surface Area:	62.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4