2,2-difluoro-N'-hydroxypropanimidamide

C3H6F2N2O — CID 55285542

IUPAC2,2-difluoro-N'-hydroxypropanimidamide
SMILESCC(F)(F)/C(N)=N/O
InChIInChI=1S/C3H6F2N2O/c1-3(4,5)2(6)7-8/h8H,1H3,(H2,6,7)
InChIKeyFDFLJSCBVMZXTD-UHFFFAOYSA-N
MW124.09 g/mol
LogP0.39
Rot. Bonds1

About 2,2-difluoro-N'-hydroxypropanimidamide

2,2-difluoro-N'-hydroxypropanimidamide (PubChem CID 55285542) has the molecular formula C3H6F2N2O and a molecular weight of 124.09 g/mol. Its IUPAC name is 2,2-difluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2,2-difluoro-N'-hydroxypropanimidamide
PubChem CID55285542
Molecular FormulaC3H6F2N2O
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Name2,2-difluoro-N'-hydroxypropanimidamide
SMILESCC(F)(F)/C(N)=N/O
InChIInChI=1S/C3H6F2N2O/c1-3(4,5)2(6)7-8/h8H,1H3,(H2,6,7)
InChIKeyFDFLJSCBVMZXTD-UHFFFAOYSA-N
XLogP0.39
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 50.39
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 2,2-difluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2,2-difluoro-N'-hydroxypropanimidamide (CID 55285542) is 2,2-difluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2,2-difluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2,2-difluoro-N'-hydroxypropanimidamide is CC(F)(F)/C(N)=N/O.
What is the InChIKey of 2,2-difluoro-N'-hydroxypropanimidamide?
The InChIKey is FDFLJSCBVMZXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2N2O/c1-3(4,5)2(6)7-8/h8H,1H3,(H2,6,7).
What are the key properties of 2,2-difluoro-N'-hydroxypropanimidamide?
2,2-difluoro-N'-hydroxypropanimidamide has a molecular weight of 124.09 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 55285542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).