chempirical

Perfluoro-1,3,5-trimethylcyclohexane

C9F18CAS 374-76-5450.07 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C9F18
Molar mass
450.07 g/mol
Exact mass
449.9713 Da
logP
5.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

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
374-76-5
SMILES
C1(C(C(C(C(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
InChIKey
MGOFOLPXKULBGG-UHFFFAOYSA-N
InChI
InChI=1S/C9F18/c10-1(7(19,20)21)4(13,14)2(11,8(22,23)24)6(17,18)3(12,5(1,15)16)9(25,26)27

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Names and synonyms

1 names
  • Perfluoro(1,3,5-trimethylcyclohexane)

Work with Perfluoro-1,3,5-trimethylcyclohexane

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

Perfluoro-1,3-dimethylcyclohexane335-27-386 % similar Perfluoromethylcyclopentane1805-22-779 % similar Perfluoromethylcyclohexane355-02-279 % similar Perfluoro-1,2-dimethylcyclohexane306-98-967 % similar Perfluoro(1-methyldecalin)306-92-363 % similar Perfluoro(2-methylpentane)355-04-463 % similar 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,9a-Docosafluorododecahydro-1H-fluorene307-08-453 % similar 1,1,1,2,3,3,4,4-Octafluoro-4-iodo-2-(trifluoromethyl)butane1514-90-550 % similar

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

Elsewhere

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