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

C7H14F3N3O — CID 76915224

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC(F)(F)F)C(C)C(N)=NO
InChIInChI=1S/C7H14F3N3O/c1-3-13(4-7(8,9)10)5(2)6(11)12-14/h5,14H,3-4H2,1-2H3,(H2,11,12)
InChIKeyOPPAAVYSPBUBHG-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.01
Rot. Bonds4

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

2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76915224) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76915224
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC(F)(F)F)C(C)C(N)=NO
InChIInChI=1S/C7H14F3N3O/c1-3-13(4-7(8,9)10)5(2)6(11)12-14/h5,14H,3-4H2,1-2H3,(H2,11,12)
InChIKeyOPPAAVYSPBUBHG-UHFFFAOYSA-N
XLogP1.01
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.01
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'}

Analyze 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide (CID 76915224) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide is CCN(CC(F)(F)F)C(C)C(N)=NO.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is OPPAAVYSPBUBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-3-13(4-7(8,9)10)5(2)6(11)12-14/h5,14H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide?
2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 213.20 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76915224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).