Allyl perfluoropentanoate

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CAS Number

84145-17-5

MDL Number

MFCD00077447

Purity

97%

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC=C

Chemical Information

Allyl perfluoropentanoate

CAS Number	84145-17-5
PubChem CID	2735874
IUPAC Name	prop-2-enyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
Molecular Formula	C8H5F9O2
Molecular Weight	304.11
XLogP	3.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	358

SMILES

C=CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H5F9O2/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H,1,3H2

InChIKey

OUJAXDQRZMGUOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84145-17-5

CID: 2735874

Formula: C8H5F9O2

MW: 304.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.11
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	304.01458286
Monoisotopic Mass	304.01458286
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	358
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
PC3260	Ethyl perfluoropentanoate
PC5388	Allyl perfluoroheptanoate
PC3260A	Ethyl 5H-perfluoropentanoate
PC107895	Ammonium perfluoropentanoate
PC9787-01	Methyl perfluoropentanoate
OR1076688-01	Allyl methacrylate
OR83606-01	Allyl sulfamoylcarbamate
OR1079292-01	Allyl Ether
OR16937-01	Allyl bromide
OR921089-01	Allyl chloroacetate

Catalog	Name
sc-311284	Allyl perfluoropentanoate
sc-295458	Methyl perfluoropentanoate
sc-263315A	Ethyl perfluoropentanoate
L0900-03	(+) -Lactacystin Allyl Ester (Lactacystin Allyl Ester)
HAA49363-01	Allyl Anthraniliate
AAA07978	Allyl ionone
FA175029-01	Allyl resorufin
501002	ALLYL BROMIDE
A549530	Allyl Alcohol
258254-01	Allyl isocyanate