HFPO octamer allyl ether

CAT: 0127-PC1008392-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC1008392-01Size:5 g

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CAS Number

2086219-31-8

Purity

95%

Smiles

FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC=C)C(F)(F)F

Chemical Information

HFPO octamer allyl ether

CAS Number	2086219-31-8
PubChem CID	179011026
IUPAC Name	1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]-3-(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl)oxypropane
Molecular Formula	C27H7F47O8
Molecular Weight	1352.3
XLogP	16.9
Topological Polar Surface Area	73.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	55
Rotatable Bond Count	25
Heavy Atom Count	82
Formal Charge	0
Complexity	2180

SMILES

C=CCOCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F

InChI

InChI=1S/C27H7F47O8/c1-2-3-75-4-5(28,13(37,38)39)76-22(63,64)7(31,15(43,44)45)78-24(67,68)9(33,17(49,50)51)80-26(71,72)11(35,19(55,56)57)82-27(73,74)12(36,20(58,59)60)81-25(69,70)10(34,18(52,53)54)79-23(65,66)8(32,16(46,47)48)77-21(61,62)6(29,30)14(40,41)42/h2H,1,3-4H2

InChIKey

VVYIPYMQSJVOFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2086219-31-8

CID: 179011026

Formula: C27H7F47O8

MW: 1352.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1352.3
XLogP3	16.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	55
Rotatable Bond Count	25
Exact Mass	1351.9390408
Monoisotopic Mass	1351.9390408
Topological Polar Surface Area	73.8 Å²
Heavy Atom Count	82
Formal Charge	0
Complexity	2180
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-397470	Allyl ether
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sc-326134	Allyl pentafluorophenyl ether
sc-300177A	Allyl ethyl ether
sc-239207A	Allyl phenyl ether
467273-01	Tetrabromobisphenol A Allyl Ether
A14430-01	Allyl ether 97%
sc-233833	Allyl methyl ether

HFPO octamer allyl ether

Chemical Information

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