4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 175536579

IUPAC4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1CCC(OC2CCCCC2)C(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10/h9-12H,1-8,17H2
InChIKeyXSATZLYWSSARSE-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.39
Rot. Bonds2

About 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine

4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 175536579) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID175536579
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1CCC(OC2CCCCC2)C(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10/h9-12H,1-8,17H2
InChIKeyXSATZLYWSSARSE-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine (CID 175536579) is 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine is NC1CCC(OC2CCCCC2)C(C(F)(F)F)C1.
What is the InChIKey of 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XSATZLYWSSARSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10/h9-12H,1-8,17H2.
What are the key properties of 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine?
4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 175536579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).