2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

C14H27F3N2O — CID 79933451

IUPAC2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCC(C)N(CC1C(N)C(C)(C)OC1(C)C)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-9(2)19(8-14(15,16)17)7-10-11(18)13(5,6)20-12(10,3)4/h9-11H,7-8,18H2,1-6H3
InChIKeyYAOCYPVQTQIHDG-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.79
Rot. Bonds4

About 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 79933451) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID79933451
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCC(C)N(CC1C(N)C(C)(C)OC1(C)C)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-9(2)19(8-14(15,16)17)7-10-11(18)13(5,6)20-12(10,3)4/h9-11H,7-8,18H2,1-6H3
InChIKeyYAOCYPVQTQIHDG-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 79933451) is 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CC(C)N(CC1C(N)C(C)(C)OC1(C)C)CC(F)(F)F.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is YAOCYPVQTQIHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-9(2)19(8-14(15,16)17)7-10-11(18)13(5,6)20-12(10,3)4/h9-11H,7-8,18H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 296.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 79933451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).