chempirical

1,8-Dichloroperfluorooctane

C8Cl2F16CAS 647-25-6470.96 g/mol

Open in Covalent MOL file
FFClFFFFFFFFClFFFFFF
Alkyl halide

Properties

Molecular formula
C8Cl2F16
Molar mass
470.96 g/mol
Exact mass
469.9122 Da
logP
6.46Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

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
647-25-6
SMILES
C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F
InChIKey
GFQXWORJCNTDPU-UHFFFAOYSA-N
InChI
InChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26

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Work with 1,8-Dichloroperfluorooctane

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

1,10-Dichloroperfluorodecane156186-28-6100 % similar 1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane662-01-179 % similar 1-Chloro-1,1,2,2,3,3,4,4,4-nonafluorobutane558-89-471 % similar 1,2-Dichlorotetrafluoroethane76-14-257 % similar 1-Chloro-4H-octafluorobutane423-31-450 % similar 5-Chlorooctafluoropentanoyl chloride3110-03-048 % similar Chloropentafluoroethane76-15-347 % similar Octafluorocyclobutane115-25-346 % similar

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

Elsewhere

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