N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C14H26F3NO2 — CID 103216466

IUPACN-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26F3NO2/c1-6-18-11(8-19-9-14(15,16)17)10-7-12(2,3)20-13(10,4)5/h10-11,18H,6-9H2,1-5H3
InChIKeyCZOYXUAEUICJRI-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216466) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216466
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC NameN-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26F3NO2/c1-6-18-11(8-19-9-14(15,16)17)10-7-12(2,3)20-13(10,4)5/h10-11,18H,6-9H2,1-5H3
InChIKeyCZOYXUAEUICJRI-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216466) is N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is CZOYXUAEUICJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-6-18-11(8-19-9-14(15,16)17)10-7-12(2,3)20-13(10,4)5/h10-11,18H,6-9H2,1-5H3.
What are the key properties of N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 297.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).