chempirical

7H-Dodecafluoroheptanoyl chloride

C7HClF12OCAS 41405-35-0364.51 g/mol

Open in Covalent MOL file
OClFFFFFFFFFFFF
Acyl halideAlkyl halide

Properties

Molecular formula
C7HClF12O
Molar mass
364.51 g/mol
Exact mass
363.9524 Da
logP
4.19Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
41405-35-0
SMILES
C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
SQQWEKUYKNKPOG-UHFFFAOYSA-N
InChI
InChI=1S/C7HClF12O/c8-1(21)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H

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

Names and synonyms

1 names
  • 7H-Perfluoroheptanoyl chloride

Work with 7H-Dodecafluoroheptanoyl 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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoyl chloride423-95-0100 % 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

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