N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C15H28F3NO2 — CID 103216472

IUPACN-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28F3NO2/c1-6-7-19-12(9-20-10-15(16,17)18)11-8-13(2,3)21-14(11,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyFVEPMYFCKMGBJT-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.53
Rot. Bonds7

About N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103216472) has the molecular formula C15H28F3NO2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103216472
Molecular FormulaC15H28F3NO2
Molecular Weight311.39 g/mol
Exact Mass311.21
IUPAC NameN-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H28F3NO2/c1-6-7-19-12(9-20-10-15(16,17)18)11-8-13(2,3)21-14(11,4)5/h11-12,19H,6-10H2,1-5H3
InChIKeyFVEPMYFCKMGBJT-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103216472) is N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is FVEPMYFCKMGBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO2/c1-6-7-19-12(9-20-10-15(16,17)18)11-8-13(2,3)21-14(11,4)5/h11-12,19H,6-10H2,1-5H3.
What are the key properties of N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 311.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103216472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).