4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C13H22F3NO3 — CID 107486415

IUPAC4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CCO)CC(F)(F)F)C1=O
InChIInChI=1S/C13H22F3NO3/c1-11(2)9(10(19)12(3,4)20-11)7-17(5-6-18)8-13(14,15)16/h9,18H,5-8H2,1-4H3
InChIKeyPUSKBVQAKSOLFF-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.62
Rot. Bonds5

About 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 107486415) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID107486415
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Name4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CCO)CC(F)(F)F)C1=O
InChIInChI=1S/C13H22F3NO3/c1-11(2)9(10(19)12(3,4)20-11)7-17(5-6-18)8-13(14,15)16/h9,18H,5-8H2,1-4H3
InChIKeyPUSKBVQAKSOLFF-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 107486415) is 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN(CCO)CC(F)(F)F)C1=O.
What is the InChIKey of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is PUSKBVQAKSOLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c1-11(2)9(10(19)12(3,4)20-11)7-17(5-6-18)8-13(14,15)16/h9,18H,5-8H2,1-4H3.
What are the key properties of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 297.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 107486415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).