chempirical

1-(Bromodifluoromethyl)cyclohex-1-ene

C7H9BrF2CAS 117711-60-1211.05 g/mol

Open in Covalent MOL file
FFBr
AlkeneAlkyl halide

Properties

Molecular formula
C7H9BrF2
Molar mass
211.05 g/mol
Exact mass
209.9856 Da
logP
3.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
117711-60-1
SMILES
C1CCC(=CC1)C(F)(F)Br
InChIKey
PJIZWHYAFYTIMP-UHFFFAOYSA-N
InChI
InChI=1S/C7H9BrF2/c8-7(9,10)6-4-2-1-3-5-6/h4H,1-3,5H2

Weigh it out

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

Work with 1-(Bromodifluoromethyl)cyclohex-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

Methylcyclohexene591-49-133 % similar 1-Cyclohexene-1-carboxaldehyde1192-88-731 % similar 1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-130 % similar 1-Cyclohexene-1-carbonitrile1855-63-630 % similar 1-Cyclohexene-1-ethanamine3399-73-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook