chempirical

1-Bromo-2-(bromodifluoromethyl)cyclohexane

C7H10Br2F2CAS 14737-09-8291.96 g/mol

Open in Covalent MOL file
FFBrBr
Alkyl halide

Properties

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

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

PubChem CAS Common Chemistry NIST WebBook