2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C11H15F3N2O — CID 54961751

IUPAC2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1cccnc1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-17-7-6-15-5-3-10-2-1-4-16-8-10/h1-2,4,8,15H,3,5-7,9H2
InChIKeyKVGVGOZKNXLZRC-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.79
Rot. Bonds7

About 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 54961751) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID54961751
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1cccnc1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-17-7-6-15-5-3-10-2-1-4-16-8-10/h1-2,4,8,15H,3,5-7,9H2
InChIKeyKVGVGOZKNXLZRC-UHFFFAOYSA-N
XLogP1.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.79
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-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 54961751) is 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCc1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is KVGVGOZKNXLZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)9-17-7-6-15-5-3-10-2-1-4-16-8-10/h1-2,4,8,15H,3,5-7,9H2.
What are the key properties of 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 248.25 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 54961751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).