4-(Trifluoromethyl)cyclohexanecarboxylic acid

C₈H₁₁F₃O₂CAS 95233-30-0196.17 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₈H₁₁F₃O₂
Molar mass: 196.17 g/mol
Exact mass: 196.0711 Da
logP: 2.44Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

95233-30-0

SMILES

O=C(O)C1CCC(C(F)(F)F)CC1

InChIKey

LMEAZIIFLVDISW-UHFFFAOYSA-N

InChI

InChI=1S/C8H11F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)

Weigh it out

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

Names and synonyms

3 names

4-Trifluoromethylcyclohexane-1-carboxylic acid
Cyclohexanecarboxylic acid, 4-(trifluoromethyl)-
4-(Trifluoromethyl)cyclohexan-1-carboxylic acid

Work with 4-(Trifluoromethyl)cyclohexanecarboxylic acid

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

1,4-Cyclohexanedicarboxylic acid1076-97-763 % similar 1,4-Cyclohexanedicarboxylic acid619-81-863 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-963 % similar 4-tert-Butylcyclohexanecarboxylic acid5451-55-860 % similar trans-4-tert-Butylcyclohexanecarboxylic acid943-29-360 % similar Cyclopentanecarboxylic acid3400-45-158 % similar Cyclobutanecarboxylic acid3721-95-758 % similar 4,4-Difluorocyclohexanecarboxylic acid122665-97-857 % similar

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

Same formula

4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-3 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-4 1,1,1-Trifluoro-6-methyl-2,4-heptanedione461-92-7

Elsewhere

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