3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine

C15H26F3NO2 — CID 65169613

IUPAC3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C15H26F3NO2/c1-2-21-13-10-12(14(13)6-4-3-5-7-14)19-8-9-20-11-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyDYDLZIHZMHTOAL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.28
Rot. Bonds7

About 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine

3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine (PubChem CID 65169613) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine
PubChem CID65169613
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCCOCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C15H26F3NO2/c1-2-21-13-10-12(14(13)6-4-3-5-7-14)19-8-9-20-11-15(16,17)18/h12-13,19H,2-11H2,1H3
InChIKeyDYDLZIHZMHTOAL-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.28
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 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine (CID 65169613) is 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine is CCOC1CC(NCCOCC(F)(F)F)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine?
The InChIKey is DYDLZIHZMHTOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-2-21-13-10-12(14(13)6-4-3-5-7-14)19-8-9-20-11-15(16,17)18/h12-13,19H,2-11H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine has a molecular weight of 309.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).