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

Acyl halide Alkyl 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 8

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

11H-Perfluoroundecanoyl chloride2248-93-3100 % similar 7H-Dodecafluoroheptanoyl chloride41405-35-0100 % similar 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 Perfluorononanoyl chloride52447-23-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook