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

C14H24F3NO2 — CID 79933345

IUPAC2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
SMILESCC(C)N(CC1C(=O)C(C)(C)OC1(C)C)CC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-9(2)18(8-14(15,16)17)7-10-11(19)13(5,6)20-12(10,3)4/h9-10H,7-8H2,1-6H3
InChIKeyGFMUIBRPZVNIDR-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.03
Rot. Bonds4

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

2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one (PubChem CID 79933345) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
PubChem CID79933345
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
SMILESCC(C)N(CC1C(=O)C(C)(C)OC1(C)C)CC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-9(2)18(8-14(15,16)17)7-10-11(19)13(5,6)20-12(10,3)4/h9-10H,7-8H2,1-6H3
InChIKeyGFMUIBRPZVNIDR-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.03
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one (CID 79933345) is 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one is CC(C)N(CC1C(=O)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-one?
The InChIKey is GFMUIBRPZVNIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-9(2)18(8-14(15,16)17)7-10-11(19)13(5,6)20-12(10,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one has a molecular weight of 295.35 g/mol, XLogP of 3.03, 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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79933345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).