3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide

C5H10F3N3O — CID 103369457

IUPAC3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide
SMILESCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C5H10F3N3O/c1-10-2-3(4(9)11-12)5(6,7)8/h3,10,12H,2H2,1H3,(H2,9,11)
InChIKeyNIGZZPFQGOHOOM-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.13
Rot. Bonds3

About 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide (PubChem CID 103369457) has the molecular formula C5H10F3N3O and a molecular weight of 185.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide
PubChem CID103369457
Molecular FormulaC5H10F3N3O
Molecular Weight185.15 g/mol
Exact Mass185.08
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide
SMILESCNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C5H10F3N3O/c1-10-2-3(4(9)11-12)5(6,7)8/h3,10,12H,2H2,1H3,(H2,9,11)
InChIKeyNIGZZPFQGOHOOM-UHFFFAOYSA-N
XLogP0.13
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.13
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

ethane, 1-(N-hydroxy)amidino-2-methylamino-
CID 74051067
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
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 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide (CID 103369457) is 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide is CNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide?
The InChIKey is NIGZZPFQGOHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3O/c1-10-2-3(4(9)11-12)5(6,7)8/h3,10,12H,2H2,1H3,(H2,9,11).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide has a molecular weight of 185.15 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-(methylaminomethyl)propanimidamide is sourced from PubChem (CID 103369457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).