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

C13H23F2NO3 — CID 107486377

IUPAC4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CCO)CC(F)F)C1=O
InChIInChI=1S/C13H23F2NO3/c1-12(2)9(11(18)13(3,4)19-12)7-16(5-6-17)8-10(14)15/h9-10,17H,5-8H2,1-4H3
InChIKeyWESAMZUOLHGZIJ-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.32
Rot. Bonds6

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

4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 107486377) has the molecular formula C13H23F2NO3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID107486377
Molecular FormulaC13H23F2NO3
Molecular Weight279.33 g/mol
Exact Mass279.16
IUPAC Name4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CCO)CC(F)F)C1=O
InChIInChI=1S/C13H23F2NO3/c1-12(2)9(11(18)13(3,4)19-12)7-16(5-6-17)8-10(14)15/h9-10,17H,5-8H2,1-4H3
InChIKeyWESAMZUOLHGZIJ-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 107486377) is 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN(CCO)CC(F)F)C1=O.
What is the InChIKey of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is WESAMZUOLHGZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO3/c1-12(2)9(11(18)13(3,4)19-12)7-16(5-6-17)8-10(14)15/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 279.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 107486377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).