2-fluoro-N'-hydroxy-2-methylpropanimidamide

C4H9FN2O — CID 76791378

IUPAC2-fluoro-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(F)C(N)=NO
InChIInChI=1S/C4H9FN2O/c1-4(2,5)3(6)7-8/h8H,1-2H3,(H2,6,7)
InChIKeyRGDWENJAJJWTKH-UHFFFAOYSA-N
MW120.13 g/mol
LogP0.48
Rot. Bonds1

About 2-fluoro-N'-hydroxy-2-methylpropanimidamide

2-fluoro-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76791378) has the molecular formula C4H9FN2O and a molecular weight of 120.13 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-2-methylpropanimidamide
PubChem CID76791378
Molecular FormulaC4H9FN2O
Molecular Weight120.13 g/mol
Exact Mass120.07
IUPAC Name2-fluoro-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(F)C(N)=NO
InChIInChI=1S/C4H9FN2O/c1-4(2,5)3(6)7-8/h8H,1-2H3,(H2,6,7)
InChIKeyRGDWENJAJJWTKH-UHFFFAOYSA-N
XLogP0.48
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-fluoro-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-2-methylpropanimidamide (CID 76791378) is 2-fluoro-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-2-methylpropanimidamide is CC(C)(F)C(N)=NO.
What is the InChIKey of 2-fluoro-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is RGDWENJAJJWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2O/c1-4(2,5)3(6)7-8/h8H,1-2H3,(H2,6,7).
What are the key properties of 2-fluoro-N'-hydroxy-2-methylpropanimidamide?
2-fluoro-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 120.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76791378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).