Borate(1-), trifluoro[rel-(1R,2R)-2-methylcyclohexyl]-, potassium (1:1), (T-4)-

C₇H₁₃BF₃KCAS 1041642-14-1204.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃BF₃K
Molar mass: 204.08 g/mol
Exact mass: 204.0699 Da
Melting point: above 250 °C
logP: 0.42Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1041642-14-1

SMILES

C[C@H]1CCCCC1[B-](F)(F)F.[K+]

InChIKey

RAVXMQPYEBSTJX-HQFIOVGONA-N

InChI

InChI=1/C7H13BF3.K/c1-6-4-2-3-5-7(6)8(9,10)11;/h6-7H,2-5H2,1H3;/q-1;+1/t6-;/s2

Weigh it out

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

Work with Borate(1-), trifluoro[rel-(1R,2R)-2-methylcyclohexyl]-, potassium (1:1), (T-4)-

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

cis-1,2-Dimethylcyclohexane2207-01-442 % similar 1,2-Dimethylcyclohexane583-57-342 % similar trans-1,2-Dimethylcyclohexane6876-23-942 % similar Potassium cyclopropyltrifluoroborate1065010-87-841 % similar 1,2-Dimethylcyclopentane2452-99-536 % similar 2-Methylcyclohexanol583-59-533 % similar 2-Methylcyclohexylamine7003-32-933 % similar cis-2-Methylcyclohexanol7443-70-133 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook