Perfluoro-1,2-dimethylcyclohexane

C₈F₁₆CAS 306-98-9400.06 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₈F₁₆
Molar mass: 400.06 g/mol
Exact mass: 399.9745 Da
Density: 1.8672 g/mL (at 20 °C)
Melting point: −56 °C
Boiling point: 101.5 °C
logP: 5.08Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor97.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

306-98-9

SMILES

FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F

InChIKey

GHBZJUJZNRLHBI-UHFFFAOYSA-N

InChI

InChI=1S/C8F16/c9-1(7(19,20)21)2(10,8(22,23)24)4(13,14)6(17,18)5(15,16)3(1,11)12

Weigh it out

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

Names and synonyms

3 names

Cyclohexane, 1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-bis(trifluoromethyl)-
Cyclohexane, decafluoro-1,2-bis(trifluoromethyl)-
1,1,2,2,3,3,4,4,5,6-Decafluoro-5,6-bis(trifluoromethyl)cyclohexane

Work with Perfluoro-1,2-dimethylcyclohexane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perfluoro(1-methyldecalin)306-92-393 % similar Perfluoromethylcyclopentane1805-22-786 % similar Perfluoromethylcyclohexane355-02-286 % similar Perfluorodecalin306-94-569 % similar Perfluoroisohexane355-04-469 % similar Perfluoro-1,3,5-trimethylcyclohexane374-76-567 % similar Perfluoroperhydrophenanthrene306-91-264 % 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-fluorene307-08-460 % similar

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

Same formula

Perfluoro-1,3-dimethylcyclohexane335-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook