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4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione

4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione - CAS 326-72-7

Catalog:	BB047100
Product Name:	4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione
CAS:	326-72-7
Synonyms:	1,3-Butanedione, 4,4,4-trifluoro-1-(5-methyl-2-thienyl)-; 4,4,4-trifluoro-1-(5-methyl(2-thienyl))butane-1,3-dione

Technical Data

Computed Properties

IUPAC Name:	4,4,4-trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione
Description:	4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione (CAS# 326-72-7 ) is a useful research chemical.
Molecular Weight:	236.21
Molecular Formula:	C9H7F3O2S
Canonical SMILES:	CC1=CC=C(S1)C(=O)CC(=O)C(F)(F)F
InChI:	InChI=1S/C9H7F3O2S/c1-5-2-3-7(15-5)6(13)4-8(14)9(10,11)12/h2-3H,4H2,1H3
InChI Key:	UCEAQWOZGAFPPB-UHFFFAOYSA-N
Boiling Point:	289.3 °C at 760 mmHg
Density:	1.363 g/cm³

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Sulfur Compounds

[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[1778-09-2]
4'-(Methylthio)acetophenone
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[1879-16-9]
4-Methoxythioanisole
[60-23-1]
Cysteamine
[162515-68-6]
1-(Mercaptomethyl)cyclopropaneacetic Acid

Thiophenes

[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[57382-97-5]
Ethyl 2-thiopheneacetate

Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.01188512
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.01188512
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3