5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one

C7H11F2NO3 — CID 106492680

IUPAC5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one
SMILESCCONCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C7H11F2NO3/c1-2-12-10-4-5-3-7(8,9)6(11)13-5/h5,10H,2-4H2,1H3
InChIKeyMKTKTRJIORUAKT-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.48
Rot. Bonds4

About 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one

5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one (PubChem CID 106492680) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one
PubChem CID106492680
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one
SMILESCCONCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C7H11F2NO3/c1-2-12-10-4-5-3-7(8,9)6(11)13-5/h5,10H,2-4H2,1H3
InChIKeyMKTKTRJIORUAKT-UHFFFAOYSA-N
XLogP0.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-(Aminomethyl)dihydrofuran-2(3H)-one
CID 9855462
Ethyl 5-(trifluoromethyl)-1,2-oxazolidine-3-carboxylate
CID 89720932
3,3-Difluoro-5-(methylaminomethyl)oxolan-2-one
CID 106492207
5-(Aminomethyl)-3,3-difluorooxolan-2-one
CID 106492211
3,3-Difluoro-5-[(methoxyamino)methyl]oxolan-2-one
CID 106492678
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-methoxyethoxyamino)methyl]oxolan-2-one
CID 106492829
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
(5S)-5-(aminomethyl)oxolan-2-one
CID 10011873

Frequently Asked Questions

What is the IUPAC name of 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one (CID 106492680) is 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one is CCONCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one?
The InChIKey is MKTKTRJIORUAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-2-12-10-4-5-3-7(8,9)6(11)13-5/h5,10H,2-4H2,1H3.
What are the key properties of 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one?
5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one has a molecular weight of 195.16 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(ethoxyamino)methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106492680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).