N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C14H24F3NO2 — CID 103215799

IUPACN-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24F3NO2/c1-2-18-12(9-19-10-14(15,16)17)11-4-7-20-13(8-11)5-3-6-13/h11-12,18H,2-10H2,1H3
InChIKeyLFHXKYXRICIMQH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds6

About N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215799) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215799
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24F3NO2/c1-2-18-12(9-19-10-14(15,16)17)11-4-7-20-13(8-11)5-3-6-13/h11-12,18H,2-10H2,1H3
InChIKeyLFHXKYXRICIMQH-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215799) is N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is LFHXKYXRICIMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-2-18-12(9-19-10-14(15,16)17)11-4-7-20-13(8-11)5-3-6-13/h11-12,18H,2-10H2,1H3.
What are the key properties of N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 295.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).