3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C8H16F3N3O — CID 76910344

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-3-14(5-8(9,10)11)4-6(2)7(12)13-15/h6,15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyUUPVPIMUZNPCRQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.25
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910344) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910344
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-3-14(5-8(9,10)11)4-6(2)7(12)13-15/h6,15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyUUPVPIMUZNPCRQ-UHFFFAOYSA-N
XLogP1.25
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.25
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-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910344) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)CC(F)(F)F.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is UUPVPIMUZNPCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-3-14(5-8(9,10)11)4-6(2)7(12)13-15/h6,15H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 227.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).