4-(Trifluoromethyl)cyclohexanamine

C7H12F3NCAS 58665-70-6167.18 g/mol

Open in Covalent MOL file
H2NFFF
Alkyl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

4 names
  • Cyclohexanamine, 4-(trifluoromethyl)-
  • 4-Trifluoromethylcyclohexylamine
  • 4-Trifluoromethylcyclohexan-1-amine
  • cis-4-(Trifluoromethyl)cyclohexylamine

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 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-150 % similar 1,4-Diaminocyclohexane3114-70-350 % similar 4-tert-Butylcyclohexylamine5400-88-450 % similar Cyclopropylamine765-30-050 % similar 4,4-Difluorocyclohexanamine458566-84-246 % similar 4-(Trifluoromethyl)piperidine657-36-346 % similar trans-2-(4-Amino-cyclohexyl)-propan-2-ol899806-45-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook