1,6-Dibromododecafluorohexane

C₆Br₂F₁₂CAS 918-22-9459.85 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆Br₂F₁₂
Molar mass: 459.85 g/mol
Exact mass: 457.8175 Da
logP: 5.50Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

918-22-9

SMILES

C(C(C(C(F)(F)Br)(F)F)(F)F)(C(C(F)(F)Br)(F)F)(F)F

InChIKey

SWAPKQWKFYIOJS-UHFFFAOYSA-N

InChI

InChI=1S/C6Br2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20

Weigh it out

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

Names and synonyms

1 names

1,6-Dibromoperfluorohexane

Work with 1,6-Dibromododecafluorohexane

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

1,8-Dibromoperfluorooctane812-58-8100 % similar 1,4-Dibromooctafluorobutane335-48-892 % similar 1-Bromoperfluorohexane335-56-881 % similar 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane375-88-281 % similar Perfluorooctyl bromide423-55-281 % similar Nonadecafluorononyl bromide558-96-381 % similar 1-Bromononafluorobutane375-48-475 % similar 1-Bromo-1,1,2,2,3,3,3-heptafluoropropane422-85-565 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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