2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine

C11H21F3N2O — CID 62555443

IUPAC2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine
SMILESCC1CN(CCNCC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C11H21F3N2O/c1-9-6-16(8-10(2,3)17-9)5-4-15-7-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyRKMZJMXZCPMJTQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine (PubChem CID 62555443) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine
PubChem CID62555443
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine
SMILESCC1CN(CCNCC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C11H21F3N2O/c1-9-6-16(8-10(2,3)17-9)5-4-15-7-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyRKMZJMXZCPMJTQ-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine (CID 62555443) is 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine is CC1CN(CCNCC(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine?
The InChIKey is RKMZJMXZCPMJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9-6-16(8-10(2,3)17-9)5-4-15-7-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine is sourced from PubChem (CID 62555443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).