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1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane,Canonical SMILES: CCC(C

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摘 要: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane,Canonical SMILES: CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,InChI: InChI=1/C8H5F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,,20)21/h2H2,1H3,Molecular Weight348.104542 [g/mol]Molecular Formula
[Synonyms]

[Structure]
 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane,Canonical SMILES: CCC(C

[ Properties Computed from Structure]
Molecular Weight348.104542 [g/mol]
Molecular FormulaC8H5F13
XLogP5.7
H-Bond Donor0
H-Bond Acceptor13
Rotatable Bond Count5
Exact Mass348.018367
MonoIsotopic Mass348.018367
Topological Polar Surface Area0
Heavy Atom Count21
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Canonical SMILES: CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1/C8H5F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,
20)21/h2H2,1H3

 
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