3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide

C7H13F3N2O2 — CID 103370339

IUPAC3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide
SMILESCC(C)OCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-4(2)14-3-5(6(11)12-13)7(8,9)10/h4-5,13H,3H2,1-2H3,(H2,11,12)
InChIKeyVLEMZLZNDOTTOY-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.34
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide (PubChem CID 103370339) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide
PubChem CID103370339
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide
SMILESCC(C)OCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-4(2)14-3-5(6(11)12-13)7(8,9)10/h4-5,13H,3H2,1-2H3,(H2,11,12)
InChIKeyVLEMZLZNDOTTOY-UHFFFAOYSA-N
XLogP1.34
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.34
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 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide 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 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide (CID 103370339) is 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide is CC(C)OCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide?
The InChIKey is VLEMZLZNDOTTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-4(2)14-3-5(6(11)12-13)7(8,9)10/h4-5,13H,3H2,1-2H3,(H2,11,12).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide has a molecular weight of 214.19 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-(propan-2-yloxymethyl)propanimidamide is sourced from PubChem (CID 103370339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).