1,3-Difluorotetrachloroacetone

CAT: 0127-PC2900Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC2900Size:1 g

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CAS Number

79-51-6

Synonyms

1,3-Difluoro-1,1,3,3-tetrachloropropan-2-one, 1,3-Difluoro-2-oxo-1,1,3,3-tetrachloropropane

MDL Number

MFCD00018816

Purity

97%

Smiles

FC (Cl) (Cl) C (=O) C (F) (Cl) Cl

Chemical Information

1,3-Difluorotetrachloroacetone

CAS Number	79-51-6
PubChem CID	238417
IUPAC Name	1,1,3,3-tetrachloro-1,3-difluoropropan-2-one
Molecular Formula	C3Cl4F2O
Molecular Weight	231.8
XLogP	3.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	141

SMILES

C(=O)(C(F)(Cl)Cl)C(F)(Cl)Cl

InChI

InChI=1S/C3Cl4F2O/c4-2(5,8)1(10)3(6,7)9

InChIKey

MXYOKVCIXGJEFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79-51-6

CID: 238417

Formula: C3Cl4F2O

MW: 231.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.8
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	231.864182
Monoisotopic Mass	229.867132
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1049906-01	3,3''''-Dibromo-1,1':3',1'':3'',1''':3''',1''''-quinquephenyl
OR95327-01	1,1,1,3,3,3-Hexaphenyldisiloxane
OR1008996-01	1,1,1,3,3,3-Hexaethyldisiloxane
OR1101150-01	1- (1,1-Dimethylethyl) 3,3-dimethyl 1,3,3-piperidinetricarboxylate
OR1020896	1,1,3,3-Tetraethyl propane-1,1,3,3-tetracarboxylate
OR1047850-01	1,1,3,3-Tetramethyl propane-1,1,3,3-tetracarboxylate
OR1101769-01	1,1,3,3-Tetramethyldisiloxane-1,3-diol
OR87766-01	1,3-Benzodithiole, 1,1,3,3-tetraoxide
OR1009015-01	1,1,3,3-Tetraphenyl-1,3-Divinyldisiloxane
OR1044215-01	1,3-Dimethoxy-1,1,3,3-tetraphenyldisiloxane

Catalog	Name
278680-01	1,1,1,3,3,3-Hexamethyldisilazane
410457-01	1,1,1,3,3,3-Hexafluoroisopropylamine
sc-224852	1,1,1,3,3,3-Hexabromoacetone
DBA78192	1,1,3,3-Tetramethyl propane-1,1,3,3-tetracarboxylate
1166-18-3-01	1,1':3',1'':3'',1'''-Quaterphenyl
sc-485231	1,3-Bis (3,3,3-trifluoropropyl) -1,1,3,3-tetramethyldisilazane
BAA00000-01	1,1,3,3-Tetraethyl-1,3-dimethyldisiloxane
NGA40020-01	1-Bromopropane-1,1,3,3,3-d5
280187-01	1,1,1,3,3,3-Hexafluoroisopropyl Trifluoromethanesulfonate
JH917336	1,1,3,3-tetrachloro-1,3-disiletane