3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

C7H15F2N3O — CID 76910852

IUPAC3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)CC(F)F)C(N)=NO
InChIInChI=1S/C7H15F2N3O/c1-5(7(10)11-13)3-12(2)4-6(8)9/h5-6,13H,3-4H2,1-2H3,(H2,10,11)
InChIKeyWPOSBEBRMADZIV-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.57
Rot. Bonds5

About 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910852) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910852
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)CC(F)F)C(N)=NO
InChIInChI=1S/C7H15F2N3O/c1-5(7(10)11-13)3-12(2)4-6(8)9/h5-6,13H,3-4H2,1-2H3,(H2,10,11)
InChIKeyWPOSBEBRMADZIV-UHFFFAOYSA-N
XLogP0.57
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.57
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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Related Compounds

N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 43186225
N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 60890616
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
2-Methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60891945
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 60921497
3-[2,2-Difluoroethyl(methyl)amino]-2-methylpropanimidamide
CID 61577850
N'-hydroxy-3-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 76883641
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910344
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910355
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
CID 76910416
3-[2,2-difluoroethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910608
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76911379

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910852) is 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)CC(F)F)C(N)=NO.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is WPOSBEBRMADZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c1-5(7(10)11-13)3-12(2)4-6(8)9/h5-6,13H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 195.21 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).