1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane

C₇F₁₅ICAS 3486-08-6495.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇F₁₅I
Molar mass: 495.96 g/mol
Exact mass: 495.8805 Da
Boiling point: 139 °C
logP: 5.75Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

3486-08-6

SMILES

FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I

InChIKey

OUFXTVSYOAPUKM-UHFFFAOYSA-N

InChI

InChI=1S/C7F15I/c8-1(5(15,16)17,6(18,19)20)2(9,10)3(11,12)4(13,14)7(21,22)23

Weigh it out

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

Names and synonyms

5 names

Hexane, 1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)-
Hexane, dodecafluoro-1-iodo-5-(trifluoromethyl)-
Pentadecafluoro-1-iodo-5-methylhexane
1-Iodo-5-(trifluoromethyl)perfluorohexane
1-Iodo-perfluoro-5-methylhexane

Work with 1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane

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

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane865-77-0100 % similar 1,1,1,2,3,3,4,4-Octafluoro-4-iodo-2-(trifluoromethyl)butane1514-90-581 % similar Perfluorohexyl iodide355-43-168 % similar Perfluorodecyl iodide423-62-168 % similar Perfluorooctyl iodide507-63-168 % similar 1,8-Diiodoperfluorooctane335-70-665 % similar 1,6-Diiodoperfluorohexane375-80-465 % similar Perfluorobutyl iodide423-39-264 % similar

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

Same formula

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptane335-58-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook