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

C12H20F3NO2 — CID 79933344

IUPAC2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
SMILESCN(CC1C(=O)C(C)(C)OC1(C)C)CC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-10(2)8(9(17)11(3,4)18-10)6-16(5)7-12(13,14)15/h8H,6-7H2,1-5H3
InChIKeyXTOYIQXRUBHEMC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.25
Rot. Bonds3

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

2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one (PubChem CID 79933344) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
PubChem CID79933344
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
SMILESCN(CC1C(=O)C(C)(C)OC1(C)C)CC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-10(2)8(9(17)11(3,4)18-10)6-16(5)7-12(13,14)15/h8H,6-7H2,1-5H3
InChIKeyXTOYIQXRUBHEMC-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.25
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(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one (CID 79933344) is 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one is CN(CC1C(=O)C(C)(C)OC1(C)C)CC(F)(F)F.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
The InChIKey is XTOYIQXRUBHEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-10(2)8(9(17)11(3,4)18-10)6-16(5)7-12(13,14)15/h8H,6-7H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one has a molecular weight of 267.29 g/mol, XLogP of 2.25, 3 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(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79933344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).