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

C14H24F3NO2 — CID 79933874

IUPAC2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
SMILESCCCN(CC1C(=O)C(C)(C)OC1(C)C)CC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-6-7-18(9-14(15,16)17)8-10-11(19)13(4,5)20-12(10,2)3/h10H,6-9H2,1-5H3
InChIKeyDCZPGFRHTQIVNU-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.03
Rot. Bonds5

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

2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one (PubChem CID 79933874) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
PubChem CID79933874
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one
SMILESCCCN(CC1C(=O)C(C)(C)OC1(C)C)CC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-6-7-18(9-14(15,16)17)8-10-11(19)13(4,5)20-12(10,2)3/h10H,6-9H2,1-5H3
InChIKeyDCZPGFRHTQIVNU-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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

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Related Compounds

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933569
4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933125
N,2,2,5,5-pentamethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 79912771
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933991
4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79934553
4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79913930
2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one
CID 82744002
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66258382
[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol
CID 112548849
2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one
CID 79912814
ethyl (4S)-4-methyl-2-oxo-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 52521240
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one (CID 79933874) is 2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one is CCCN(CC1C(=O)C(C)(C)OC1(C)C)CC(F)(F)F.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
The InChIKey is DCZPGFRHTQIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-6-7-18(9-14(15,16)17)8-10-11(19)13(4,5)20-12(10,2)3/h10H,6-9H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one has a molecular weight of 295.35 g/mol, XLogP of 3.03, 5 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-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79933874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).