3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one

C10H17F2NO4 — CID 106492532

IUPAC3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one
SMILESCOCCOCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C10H17F2NO4/c1-15-4-5-16-3-2-13-7-8-6-10(11,12)9(14)17-8/h8,13H,2-7H2,1H3
InChIKeyVHZOFGPFRWOJNZ-UHFFFAOYSA-N
MW253.24 g/mol
LogP0.19
Rot. Bonds8

About 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one

3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one (PubChem CID 106492532) has the molecular formula C10H17F2NO4 and a molecular weight of 253.24 g/mol. Its IUPAC name is 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one
PubChem CID106492532
Molecular FormulaC10H17F2NO4
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one
SMILESCOCCOCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C10H17F2NO4/c1-15-4-5-16-3-2-13-7-8-6-10(11,12)9(14)17-8/h8,13H,2-7H2,1H3
InChIKeyVHZOFGPFRWOJNZ-UHFFFAOYSA-N
XLogP0.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-5-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]oxolan-2-one
CID 106492966
3-[2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 106492848
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one
CID 106492983
5-[[2-(3,5-difluorophenyl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106492587
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
3,3-difluoro-5-[[(2-hydroxy-3-methylbutyl)amino]methyl]oxolan-2-one
CID 106492932
5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106046328
3,3-difluoro-5-[(thiolan-2-ylmethylamino)methyl]oxolan-2-one
CID 106492758
3,3-difluoro-5-[[(4-hydroxyphenyl)methylamino]methyl]oxolan-2-one
CID 106492962
2-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707310
5-[(1-cyclopentylethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492650

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one (CID 106492532) is 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one is COCCOCCNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one?
The InChIKey is VHZOFGPFRWOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO4/c1-15-4-5-16-3-2-13-7-8-6-10(11,12)9(14)17-8/h8,13H,2-7H2,1H3.
What are the key properties of 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one?
3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one has a molecular weight of 253.24 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[2-(2-methoxyethoxy)ethylamino]methyl]oxolan-2-one is sourced from PubChem (CID 106492532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).