Perfluoro-1,3-dimethylcyclohexane

C₈F₁₆CAS 335-27-3400.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈F₁₆
Molar mass: 400.06 g/mol
Exact mass: 399.9745 Da
Density: 1.856 g/mL (at 20 °C)
Melting point: −70 °C
Boiling point: 102 °C
logP: 5.08Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

335-27-3

SMILES

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

InChIKey

LOQGSOTUHASIHI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Cyclohexane, 1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)-
Cyclohexane, decafluoro-1,3-bis(trifluoromethyl)-
1,1,2,2,3,3,4,5,5,6-Decafluoro-4,6-bis(trifluoromethyl)cyclohexane
Perfluoro(1,3-dimethylcyclohexane)
Decafluoro-1,3-bis(trifluoromethyl)cyclohexane
Flutec PP 3
PP 3
Carbogal
Flutec PC 3
NSC 4782

Work with Perfluoro-1,3-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

Perfluoromethylcyclopentane1805-22-793 % similar Perfluoromethylcyclohexane355-02-293 % similar Perfluoro-1,3,5-trimethylcyclohexane374-76-586 % similar Perfluoro(1-methyldecalin)306-92-375 % 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-fluorene307-08-467 % similar Perfluoroisohexane355-04-465 % similar Perfluorodecalin306-94-564 % similar Perfluoroperhydrophenanthrene306-91-260 % similar

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

Same formula

Perfluoro-1,2-dimethylcyclohexane306-98-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia