3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane

C₈H₈F₈I₂CAS 2681-00-7509.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈F₈I₂
Molar mass: 509.95 g/mol
Exact mass: 509.8588 Da
logP: 5.18Crippen estimate
Polar surface area: 0.0 Å²
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

2681-00-7

SMILES

C(CI)C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F

InChIKey

IGGDHHHKQANRAY-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F8I2/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h1-4H2

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Names and synonyms

1 names

1,8-Diiodo-3,3,4,4,5,5,6,6-octafluorooctane

Work with 3,3,4,4,5,5,6,6-Octafluoro-1,8-diiodooctane

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

1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-281 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-077 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-177 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-477 % similar 1,1,1,2,2,3,3-Heptafluoro-5-iodopentane1513-88-876 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-662 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,8-octanediol83192-87-448 % similar 1,1,1-Trifluoro-3-iodopropane460-37-748 % similar

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

Elsewhere

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