4-(Trifluoromethyl)cyclohexanamine

C₇H₁₂F₃NCAS 58665-70-6167.18 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₇H₁₂F₃N
Molar mass: 167.18 g/mol
Exact mass: 167.0922 Da
logP: 2.07Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

58665-70-6

SMILES

NC1CCC(C(F)(F)F)CC1

InChIKey

YCBWLMWEQURJHX-UHFFFAOYSA-N

InChI

InChI=1S/C7H12F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4,11H2

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

Names and synonyms

3 names

Cyclohexanamine, 4-(trifluoromethyl)-
4-Trifluoromethylcyclohexylamine
4-Trifluoromethylcyclohexan-1-amine

Work with 4-(Trifluoromethyl)cyclohexanamine

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

trans-1,4-Diaminocyclohexane2615-25-050 % similar 1,4-Diaminocyclohexane3114-70-350 % similar 4-tert-Butylcyclohexylamine5400-88-450 % similar Cyclopropylamine765-30-050 % similar 4-(Trifluoromethyl)piperidine657-36-346 % similar (4,4-Difluorocyclohexyl)amine hydrochloride675112-70-641 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-340 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid95233-30-040 % similar

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

Elsewhere

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