6-Bromo-1,1,2-trifluorohex-1-ene

C₆H₈BrF₃CAS 126828-29-3217.03 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Vinyl halide

Properties

Molecular formula: C₆H₈BrF₃
Molar mass: 217.03 g/mol
Exact mass: 215.9761 Da
logP: 3.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, 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

126828-29-3

SMILES

C(CCBr)CC(=C(F)F)F

InChIKey

YSTVLPSZAHXMQI-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BrF3/c7-4-2-1-3-5(8)6(9)10/h1-4H2

Weigh it out

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Work with 6-Bromo-1,1,2-trifluorohex-1-ene

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

4-Bromo-1,1,2-trifluoro-1-butene10493-44-468 % similar 1,4-Dibromobutane110-52-140 % similar 1,5-Dibromopentane111-24-038 % similar 1,11-Dibromoundecane16696-65-438 % similar 1,12-Dibromododecane3344-70-538 % similar 1,10-Dibromodecane4101-68-238 % similar 1,16-Dibromohexadecane45223-18-538 % similar 1,7-Dibromoheptane4549-31-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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