N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine

C11H22F3NO2 — CID 64503288

IUPACN-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine
SMILESCOCCNCCCCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-16-9-7-15-6-4-2-3-5-8-17-10-11(12,13)14/h15H,2-10H2,1H3
InChIKeyCPXISSDXLOSSBC-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds11

About N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine

N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine (PubChem CID 64503288) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine
PubChem CID64503288
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC NameN-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine
SMILESCOCCNCCCCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-16-9-7-15-6-4-2-3-5-8-17-10-11(12,13)14/h15H,2-10H2,1H3
InChIKeyCPXISSDXLOSSBC-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-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-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine (CID 64503288) is N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine is COCCNCCCCCCOCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine?
The InChIKey is CPXISSDXLOSSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-16-9-7-15-6-4-2-3-5-8-17-10-11(12,13)14/h15H,2-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine?
N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)hexan-1-amine is sourced from PubChem (CID 64503288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).