Heptafluorobenzyl iodide

C₇F₇ICAS 79865-03-5343.97 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇F₇I
Molar mass: 343.97 g/mol
Exact mass: 343.8933 Da
logP: 3.87Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

79865-03-5

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)I

InChIKey

KBTGPFZDZIZYLB-UHFFFAOYSA-N

InChI

InChI=1S/C7F7I/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10

Weigh it out

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

Work with Heptafluorobenzyl iodide

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

Perfluorotoluene434-64-048 % similar 3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride4284-09-736 % similar Hexafluorobenzene392-56-335 % similar 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride17823-46-035 % similar 2-(Pentafluorophenyl)propan-2-ol715-31-135 % similar 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol2787-79-333 % similar 2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride651-83-233 % similar 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol651-84-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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