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

C8H13F2NO4 — CID 106492829

IUPAC3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one
SMILESCOCCONCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C8H13F2NO4/c1-13-2-3-14-11-5-6-4-8(9,10)7(12)15-6/h6,11H,2-5H2,1H3
InChIKeyLGIBFONWFZJDTK-UHFFFAOYSA-N
MW225.19 g/mol
LogP0.10
Rot. Bonds6

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

3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one (PubChem CID 106492829) has the molecular formula C8H13F2NO4 and a molecular weight of 225.19 g/mol. Its IUPAC name is 3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one
PubChem CID106492829
Molecular FormulaC8H13F2NO4
Molecular Weight225.19 g/mol
Exact Mass225.08
IUPAC Name3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one
SMILESCOCCONCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C8H13F2NO4/c1-13-2-3-14-11-5-6-4-8(9,10)7(12)15-6/h6,11H,2-5H2,1H3
InChIKeyLGIBFONWFZJDTK-UHFFFAOYSA-N
XLogP0.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3-Difluoro-5-[(methoxyamino)methyl]oxolan-2-one
CID 106492678
5-[(Ethoxyamino)methyl]-3,3-difluorooxolan-2-one
CID 106492680
3,3-Difluoro-5-[(2-methylpropoxyamino)methyl]oxolan-2-one
CID 106492827
3,3-Difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
CID 106492828
3,3-Difluoro-5-[[(2-methylpropan-2-yl)oxyamino]methyl]oxolan-2-one
CID 106492830
5-[(Cyclopentyloxyamino)methyl]-3,3-difluorooxolan-2-one
CID 106492852
2-[(4,4-Difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide
CID 106492855

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one (CID 106492829) is 3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one is COCCONCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one?
The InChIKey is LGIBFONWFZJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO4/c1-13-2-3-14-11-5-6-4-8(9,10)7(12)15-6/h6,11H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one has a molecular weight of 225.19 g/mol, XLogP of 0.10, 6 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-methoxyethoxyamino)methyl]oxolan-2-one is sourced from PubChem (CID 106492829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).