2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one

C13H22F3NO2 — CID 79930259

IUPAC2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one
SMILESCN(CCC(F)(F)F)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C13H22F3NO2/c1-11(2)9(10(18)12(3,4)19-11)8-17(5)7-6-13(14,15)16/h9H,6-8H2,1-5H3
InChIKeyLQYCWYAIOQPHST-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.64
Rot. Bonds4

About 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one (PubChem CID 79930259) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one
PubChem CID79930259
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one
SMILESCN(CCC(F)(F)F)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C13H22F3NO2/c1-11(2)9(10(18)12(3,4)19-11)8-17(5)7-6-13(14,15)16/h9H,6-8H2,1-5H3
InChIKeyLQYCWYAIOQPHST-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one (CID 79930259) is 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one is CN(CCC(F)(F)F)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one?
The InChIKey is LQYCWYAIOQPHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-11(2)9(10(18)12(3,4)19-11)8-17(5)7-6-13(14,15)16/h9H,6-8H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one has a molecular weight of 281.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79930259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).