1-Bromo-2-(bromodifluoromethyl)cyclohexane

C₇H₁₀Br₂F₂CAS 14737-09-8291.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀Br₂F₂
Molar mass: 291.96 g/mol
Exact mass: 289.9117 Da
logP: 3.93Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

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

14737-09-8

SMILES

C1CCC(C(C1)C(F)(F)Br)Br

InChIKey

MWCUYVZBWZWWKO-UHFFFAOYSA-N

InChI

InChI=1S/C7H10Br2F2/c8-6-4-2-1-3-5(6)7(9,10)11/h5-6H,1-4H2

Weigh it out

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Work with 1-Bromo-2-(bromodifluoromethyl)cyclohexane

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

1,2-Dibromocyclohexane5401-62-743 % similar trans-1,2-Dibromocyclohexane7429-37-043 % similar 1,2-Dibromo-1,1,2-trifluoroethane354-04-136 % similar 1-Bromo-2-chloro-1,1,2-trifluoroethane354-06-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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