4,4,4-trifluoro-N'-methylbutanimidamide

C5H9F3N2 — CID 18727724

IUPAC4,4,4-trifluoro-N'-methylbutanimidamide
SMILESC/N=C(\N)CCC(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-10-4(9)2-3-5(6,7)8/h2-3H2,1H3,(H2,9,10)
InChIKeyXWFDDSDZQUBIFB-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.32
Rot. Bonds2

About 4,4,4-trifluoro-N'-methylbutanimidamide

4,4,4-trifluoro-N'-methylbutanimidamide (PubChem CID 18727724) has the molecular formula C5H9F3N2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-N'-methylbutanimidamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N'-methylbutanimidamide
PubChem CID18727724
Molecular FormulaC5H9F3N2
Molecular Weight154.14 g/mol
Exact Mass154.07
IUPAC Name4,4,4-trifluoro-N'-methylbutanimidamide
SMILESC/N=C(\N)CCC(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-10-4(9)2-3-5(6,7)8/h2-3H2,1H3,(H2,9,10)
InChIKeyXWFDDSDZQUBIFB-UHFFFAOYSA-N
XLogP1.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4,4,4-trifluoro-N'-methylbutanimidamide 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 4,4,4-trifluoro-N'-methylbutanimidamide?
The IUPAC name of 4,4,4-trifluoro-N'-methylbutanimidamide (CID 18727724) is 4,4,4-trifluoro-N'-methylbutanimidamide.
What is the SMILES notation for 4,4,4-trifluoro-N'-methylbutanimidamide?
The canonical SMILES for 4,4,4-trifluoro-N'-methylbutanimidamide is C/N=C(\N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N'-methylbutanimidamide?
The InChIKey is XWFDDSDZQUBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-10-4(9)2-3-5(6,7)8/h2-3H2,1H3,(H2,9,10).
What are the key properties of 4,4,4-trifluoro-N'-methylbutanimidamide?
4,4,4-trifluoro-N'-methylbutanimidamide has a molecular weight of 154.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N'-methylbutanimidamide is sourced from PubChem (CID 18727724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).