(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide

C7H9F3N2 — CID 143124547

IUPAC(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
SMILESC=C(/C=C\C(N)=N\C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(7(8,9)10)3-4-6(11)12-2/h3-4H,1H2,2H3,(H2,11,12)/b4-3-
InChIKeyGKHUKUQNLSMFLC-ARJAWSKDSA-N
MW178.16 g/mol
LogP1.65
Rot. Bonds2

About (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide

(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide (PubChem CID 143124547) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
PubChem CID143124547
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
SMILESC=C(/C=C\C(N)=N\C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(7(8,9)10)3-4-6(11)12-2/h3-4H,1H2,2H3,(H2,11,12)/b4-3-
InChIKeyGKHUKUQNLSMFLC-ARJAWSKDSA-N
XLogP1.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.65
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide 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 (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The IUPAC name of (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide (CID 143124547) is (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide is C=C(/C=C\C(N)=N\C)C(F)(F)F.
What is the InChIKey of (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The InChIKey is GKHUKUQNLSMFLC-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(7(8,9)10)3-4-6(11)12-2/h3-4H,1H2,2H3,(H2,11,12)/b4-3-.
What are the key properties of (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide has a molecular weight of 178.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide is sourced from PubChem (CID 143124547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).