Pentafluorophenyl trifluoroacetate

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CAS Number

14533-84-7

Synonyms

Perfluoro (phenyl acetate), Trifluoroacetic acid pentafluorophenyl ester

MDL Number

MFCD00134438

Purity

98%

Smiles

Fc1c(F)c(F)c(OC(=O)C(F)(F)F)c(F)c1F

Chemical Information

Pentafluorophenyl Trifluoroacetate

CAS Number	14533-84-7
PubChem CID	4327891
IUPAC Name	(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
Molecular Formula	C8F8O2
Molecular Weight	280.07
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	303

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(F)(F)F

InChI

InChI=1S/C8F8O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16

InChIKey

VCQURUZYYSOUHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14533-84-7

CID: 4327891

Formula: C8F8O2

MW: 280.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.07
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	279.97705454
Monoisotopic Mass	279.97705454
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303
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
PC5692-01	Pentafluorophenyl isothiocyanate
PC4318-01	Pentafluorophenyl methacrylate
PC908067-01	Pentafluorophenyl diphenylphosphinate
PC5808	Pentafluorophenyl isonicotinate
PC10572	Pentafluorophenyl methanesulphonate
PC7353-01	Pentafluorophenyl trifluoromethanesulphonate
PC10318	Pentafluorophenyl phenylmethanesulphonate
PC2086	Pentafluorophenyl Biotinamidopentanoate
PC10316-01	Pentafluorophenyl ethanesulphonate
PC4610-01	Pentafluorophenyl acrylate

Catalog	Name
sc-253248	Pentafluorophenyl trifluoroacetate
241190-01	Pentafluorophenyl trifluoroacetate 98+% (GC)
XYA55360	Pentafluorophenyl ethanesulphonate
286563-01	Pentafluorophenyl Isocyanate
288446-01	Pentafluorophenyl Trifluoromethanesulfonate
sc-279953	(Pentafluorophenyl) diphenylphosphine
sc-215689A	Pentafluorophenyl acetate
sc-253249	(Pentafluorophenyl) triethoxysilane
P03245-01	Pentafluorophenyl Isothiocyanate
462190-01	Pentafluorophenyl Diphenylphosphinate