N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine

C11H20F3NO — CID 62110412

IUPACN-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO/c1-2-15-8-10(6-4-3-5-7-10)16-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyMFVADJNKRWCXPQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds5

About N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine

N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine (PubChem CID 62110412) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
PubChem CID62110412
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO/c1-2-15-8-10(6-4-3-5-7-10)16-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyMFVADJNKRWCXPQ-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine 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-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine (CID 62110412) is N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine is CCNCC1(OCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
The InChIKey is MFVADJNKRWCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-15-8-10(6-4-3-5-7-10)16-9-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine?
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62110412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).