4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide

C6H12F2N2O2 — CID 82003871

IUPAC4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide
SMILESNC(CCCOCC(F)F)=NO
InChIInChI=1S/C6H12F2N2O2/c7-5(8)4-12-3-1-2-6(9)10-11/h5,11H,1-4H2,(H2,9,10)
InChIKeyDKKJNWMBLHLWQW-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.79
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide

4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide (PubChem CID 82003871) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide
PubChem CID82003871
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide
SMILESNC(CCCOCC(F)F)=NO
InChIInChI=1S/C6H12F2N2O2/c7-5(8)4-12-3-1-2-6(9)10-11/h5,11H,1-4H2,(H2,9,10)
InChIKeyDKKJNWMBLHLWQW-UHFFFAOYSA-N
XLogP0.79
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide (CID 82003871) is 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide is NC(CCCOCC(F)F)=NO.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide?
The InChIKey is DKKJNWMBLHLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c7-5(8)4-12-3-1-2-6(9)10-11/h5,11H,1-4H2,(H2,9,10).
What are the key properties of 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide?
4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide has a molecular weight of 182.17 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 82003871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).