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

C13H24F3NO2 — CID 103216470

IUPACN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H24F3NO2/c1-11(2)6-9(12(3,4)19-11)10(17-5)7-18-8-13(14,15)16/h9-10,17H,6-8H2,1-5H3
InChIKeyHXGGKIKTBXWJQJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds5

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

N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216470) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216470
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC NameN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H24F3NO2/c1-11(2)6-9(12(3,4)19-11)10(17-5)7-18-8-13(14,15)16/h9-10,17H,6-8H2,1-5H3
InChIKeyHXGGKIKTBXWJQJ-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216470) is N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is HXGGKIKTBXWJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11(2)6-9(12(3,4)19-11)10(17-5)7-18-8-13(14,15)16/h9-10,17H,6-8H2,1-5H3.
What are the key properties of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 283.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).