4,4-Difluoro-1-[2-thienyl]-butane-1,3-dione - CAS 76629-94-2

Catalog:	BB045610
Product Name:	4,4-Difluoro-1-[2-thienyl]-butane-1,3-dione
CAS:	76629-94-2
Synonyms:	1,1-difluoro-4-(2-thienyl)butane-2,4-dione; 1-(2-Thienyl)-4,4-difluorobutane-1,3-dione

Technical Data

Computed Properties

IUPAC Name:	4,4-difluoro-1-thiophen-2-ylbutane-1,3-dione
Description:	4,4-Difluoro-1-[2-thienyl]-butane-1,3-dione (CAS# 76629-94-2 ) is a useful research chemical.
Molecular Weight:	204.20
Molecular Formula:	C8H6F2O2S
Canonical SMILES:	C1=CSC(=C1)C(=O)CC(=O)C(F)F
InChI:	InChI=1S/C8H6F2O2S/c9-8(10)6(12)4-5(11)7-2-1-3-13-7/h1-3,8H,4H2
InChI Key:	BYASAUCNBVCUOY-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]
2,4-Difluorotoluene
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[13669-10-8]
Ethyl (2-thenoyl)acetate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.00565693
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.00565693
Rotatable Bond Count:	4
Topological Polar Surface Area:	62.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2