1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptane

C₇F₁₅ICAS 335-58-0495.96 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₇F₁₅I
Molar mass: 495.96 g/mol
Exact mass: 495.8805 Da
Boiling point: 137.5 °C
logP: 5.75Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

335-58-0

SMILES

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

InChIKey

AHUMDLIBMIYQMU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Heptane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodo-
Heptane, pentadecafluoro-1-iodo-
Perfluoroheptyl iodide
Pentadecafluoro-1-iodoheptane
Perfluoro-1-iodoheptane
Perfluoro-n-heptyl iodide
1-Iodoperfluoroheptane
Pentadecafluoroheptyl iodide

Work with 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptane

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

Perfluorohexyl iodide355-43-1100 % similar Perfluorodecyl iodide423-62-1100 % similar Perfluorooctyl iodide507-63-1100 % similar Perfluorobutyl iodide423-39-294 % similar Perfluoropropyl iodide754-34-778 % similar 1,8-Diiodoperfluorooctane335-70-676 % similar 1,6-Diiodoperfluorohexane375-80-476 % similar 1,4-Diiodoperfluorobutane375-50-871 % similar

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

Same formula

1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane3486-08-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook