3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide

C6H13F2N3O — CID 115407295

IUPAC3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC(F)F)C(N)=NO
InChIInChI=1S/C6H13F2N3O/c1-4(6(9)11-12)2-10-3-5(7)8/h4-5,10,12H,2-3H2,1H3,(H2,9,11)
InChIKeyARCXUQQURSYZDJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.22
Rot. Bonds5

About 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide

3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 115407295) has the molecular formula C6H13F2N3O and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID115407295
Molecular FormulaC6H13F2N3O
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Name3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC(F)F)C(N)=NO
InChIInChI=1S/C6H13F2N3O/c1-4(6(9)11-12)2-10-3-5(7)8/h4-5,10,12H,2-3H2,1H3,(H2,9,11)
InChIKeyARCXUQQURSYZDJ-UHFFFAOYSA-N
XLogP0.22
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.22
H-Bond Donors ≤ 53
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-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 60921497
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
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910852
N'-hydroxy-2-methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912533
N'-hydroxy-2-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76912560
3-[2,2-difluoroethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917145
N'-hydroxy-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 76917248

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide (CID 115407295) is 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide is CC(CNCC(F)F)C(N)=NO.
What is the InChIKey of 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ARCXUQQURSYZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O/c1-4(6(9)11-12)2-10-3-5(7)8/h4-5,10,12H,2-3H2,1H3,(H2,9,11).
What are the key properties of 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 181.19 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 115407295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).