2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide

C7H10F2N2O4 — CID 106492855

IUPAC2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide
SMILESNC(=O)CONCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C7H10F2N2O4/c8-7(9)1-4(15-6(7)13)2-11-14-3-5(10)12/h4,11H,1-3H2,(H2,10,12)
InChIKeyBFTIOMWKOGWTHT-UHFFFAOYSA-N
MW224.16 g/mol
LogP-1.06
Rot. Bonds5

About 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide

2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide (PubChem CID 106492855) has the molecular formula C7H10F2N2O4 and a molecular weight of 224.16 g/mol. Its IUPAC name is 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide
PubChem CID106492855
Molecular FormulaC7H10F2N2O4
Molecular Weight224.16 g/mol
Exact Mass224.06
IUPAC Name2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide
SMILESNC(=O)CONCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C7H10F2N2O4/c8-7(9)1-4(15-6(7)13)2-11-14-3-5(10)12/h4,11H,1-3H2,(H2,10,12)
InChIKeyBFTIOMWKOGWTHT-UHFFFAOYSA-N
XLogP-1.06
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
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-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
CID 106492828
3,3-Difluoro-5-[(2-methoxyethoxyamino)methyl]oxolan-2-one
CID 106492829
5-[(Cyclopentyloxyamino)methyl]-3,3-difluorooxolan-2-one
CID 106492852

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide (CID 106492855) is 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide is NC(=O)CONCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide?
The InChIKey is BFTIOMWKOGWTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O4/c8-7(9)1-4(15-6(7)13)2-11-14-3-5(10)12/h4,11H,1-3H2,(H2,10,12).
What are the key properties of 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide?
2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide has a molecular weight of 224.16 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]oxyacetamide is sourced from PubChem (CID 106492855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).