Methyl 4H-hexafluorobutanoate

CAT: 0127-PC5781-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC5781-01Size:1 g

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CAS Number

356-32-1

Synonyms

Methyl 2,2,3,3,4,4-hexafluorobutyrate, Methyl 2,2,3,3,4,4-hexafluorobutanoate

MDL Number

MFCD00465645

Purity

=95%

Smiles

COC(=O)C(F)(F)C(F)(F)C(F)F

Chemical Information

Methyl 4H-perfluorobutanoate

CAS Number	356-32-1
PubChem CID	2775416
IUPAC Name	methyl 2,2,3,3,4,4-hexafluorobutanoate
Molecular Formula	C5H4F6O2
Molecular Weight	210.07
XLogP	2.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	201

SMILES

COC(=O)C(C(C(F)F)(F)F)(F)F

InChI

InChI=1S/C5H4F6O2/c1-13-3(12)5(10,11)4(8,9)2(6)7/h2H,1H3

InChIKey

GUDSBACGSFZSPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 356-32-1

CID: 2775416

Formula: C5H4F6O2

MW: 210.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.07
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	210.01154834
Monoisotopic Mass	210.01154834
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	201
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
PC108072	Methyl 2,2,3,4,4,4-hexafluorobutanoate
PC6835-01	Methyl 4-bromo-2,2,3,3,4,4-hexafluorobutanoate
PC10019	Methyl 4H-perfluorobutyl acetoacetate
PC108002	Ethyl 2,2,3,4,4,4-hexafluorobutanoate
OR96574-01	6-Methyl-4H-chromen-4-one
OR94399-01	2-Methyl-4H-chromen-4-one
OR1026625-01	3-Methyl-4H-Chromen-4-One
OR1041697-01	1-Methyl-1H-pyrazol-5 (4H) -one
OR91283-01	4-Methyl-4H-1,2,4-triazole
OR1053810-01	Methyl 4-oxo-4H-chromene-2-carboxylate

Catalog	Name
AAA08590-01	3-Methyl-4H-chromen-4-one
LMB94065-01	Methyl[ (4-methyl-4H-1,2,4-triazol-3-yl) methyl]amine
EEC95333-01	2-Methyl-4H-chromene-3-carboxylic acid
TRC-M223493-10MG	2-Methyl-1,3(2H,4H)-isoquinolinedione
TAA63094-01	4-Methyl-4H-isoquinoline-1,3-dione
TAA39873-01	Methyl 4-oxo-4H-chromene-2-carboxylate
FFA30662-01	3-[ (Hydroxyimino) methyl]-4H-chromen-4-one
TRC-M266180-500MG	4-[(4-Methoxyphenyl)methyl]-4-methyl-2-phenyl-5(4H)-oxazolone
GWB03479-01	[ (Dimethyl-4H-1,2,4-triazol-3-yl) methyl] (methyl) amine
DUA23903-01	Methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate