1-[3-(Trifluoromethyl)phenyl]cyclohexan-1-amine

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Basic information

CAS: 125802-23-5
Standard SMILES: NC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIKey: UBLNVYIKUWTTQA-UHFFFAOYSA-N
Molecular formula: C13H16F3N
Average molar mass: 243.27 g/mol
Monoisotopic mass: 243.123484

Names & identifiers

Preferred name: 1-[3-(Trifluoromethyl)phenyl]cyclohexan-1-amine
IUPAC: 1-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

Names & synonyms

1-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine125802-23-51-(3-Trifluoromethylphenyl)cyclohexanamineCHEMBL254670SCHEMBL8233087UBLNVYIKUWTTQA-UHFFFAOYSA-NDTXSID801258072AKOS0093216151-[3-(Trifluoromethyl)phenyl]cyclohexanamineEN300-146924

Database identifiers

CAS: 125802-23-5
PubChem CID: 21534495
DTXSID: DTXSID801258072
ChEMBL: CHEMBL254670
Nikkaji: J294.336K

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 256

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Compound notes

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