N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide

C5H7F3N2 — CID 178136811

IUPACN'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide
SMILESC=C(/N=C(\C)N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3,(H2,9,10)
InChIKeyJUBHMCNLVWPSPE-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.44
Rot. Bonds1

About N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide

N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide (PubChem CID 178136811) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide
PubChem CID178136811
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC NameN'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide
SMILESC=C(/N=C(\C)N)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3,(H2,9,10)
InChIKeyJUBHMCNLVWPSPE-UHFFFAOYSA-N
XLogP1.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.44
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 N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide 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 N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide?
The IUPAC name of N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide (CID 178136811) is N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide?
The canonical SMILES for N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide is C=C(/N=C(\C)N)C(F)(F)F.
What is the InChIKey of N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide?
The InChIKey is JUBHMCNLVWPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3,(H2,9,10).
What are the key properties of N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide?
N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide has a molecular weight of 152.12 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidamide is sourced from PubChem (CID 178136811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).