N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 60977329

IUPACN-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCC2CCCCO2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-4-3-5-11(8-10)17-9-12-6-1-2-7-18-12/h10-12,17H,1-9H2
InChIKeyAFZGWDZQMYXRDI-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds3

About N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 60977329) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID60977329
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCC2CCCCO2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-4-3-5-11(8-10)17-9-12-6-1-2-7-18-12/h10-12,17H,1-9H2
InChIKeyAFZGWDZQMYXRDI-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(oxan-2-ylmethyl)-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 N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 60977329) is N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCC2CCCCO2)C1.
What is the InChIKey of N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AFZGWDZQMYXRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-4-3-5-11(8-10)17-9-12-6-1-2-7-18-12/h10-12,17H,1-9H2.
What are the key properties of N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 60977329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).