3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide

C7H15F2N3O — CID 76910608

IUPAC3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC(F)F
InChIInChI=1S/C7H15F2N3O/c1-2-12(5-6(8)9)4-3-7(10)11-13/h6,13H,2-5H2,1H3,(H2,10,11)
InChIKeyAVGZJFUMCPXTKU-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.71
Rot. Bonds6

About 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide

3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76910608) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76910608
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC(F)F
InChIInChI=1S/C7H15F2N3O/c1-2-12(5-6(8)9)4-3-7(10)11-13/h6,13H,2-5H2,1H3,(H2,10,11)
InChIKeyAVGZJFUMCPXTKU-UHFFFAOYSA-N
XLogP0.71
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide (CID 76910608) is 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is AVGZJFUMCPXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c1-2-12(5-6(8)9)4-3-7(10)11-13/h6,13H,2-5H2,1H3,(H2,10,11).
What are the key properties of 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide?
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 195.21 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76910608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).