chempirical

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoyl chloride

C9HClF16OCAS 423-95-0464.53 g/mol

Open in Covalent MOL file
OClFFFFFFFFFFFFFFFF
Acyl halideAlkyl halide

Properties

Molecular formula
C9HClF16O
Molar mass
464.53 g/mol
Exact mass
463.9460 Da
logP
5.46Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Identifiers

CAS number
423-95-0
SMILES
O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
RJYUFWDUKZUCSP-UHFFFAOYSA-N
InChI
InChI=1S/C9HClF16O/c10-1(27)3(13,14)5(17,18)7(21,22)9(25,26)8(23,24)6(19,20)4(15,16)2(11)12/h2H

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Names and synonyms

1 names
  • Nonanoyl chloride, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-

Work with 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3,4,4,5,5-Octafluoropentanoyl chloride376-71-686 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid1546-95-860 % similar ω-Hydroperfluoroundecanoic acid1765-48-660 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid76-21-160 % similar Perfluorooctanoyl chloride335-64-859 % similar 2,2,3,3,4,4-Hexafluoropentanedioyl dichloride678-77-359 % similar Heptafluorobutyryl chloride375-16-653 % similar 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane336-07-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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