N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide

C5H7F3N2 — CID 123521778

IUPACN-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC=CN/C(=N\C)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3-10-4(9-2)5(6,7)8/h3H,1H2,2H3,(H,9,10)
InChIKeyOTKKNLZJFDJHGW-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.31
Rot. Bonds1

About N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide

N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide (PubChem CID 123521778) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide
PubChem CID123521778
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC NameN-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC=CN/C(=N\C)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3-10-4(9-2)5(6,7)8/h3H,1H2,2H3,(H,9,10)
InChIKeyOTKKNLZJFDJHGW-UHFFFAOYSA-N
XLogP1.31
TPSA24.39 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 ≤ 51.31
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-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide 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-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide?
The IUPAC name of N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide (CID 123521778) is N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide.
What is the SMILES notation for N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide?
The canonical SMILES for N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide is C=CN/C(=N\C)C(F)(F)F.
What is the InChIKey of N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide?
The InChIKey is OTKKNLZJFDJHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-3-10-4(9-2)5(6,7)8/h3H,1H2,2H3,(H,9,10).
What are the key properties of N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide?
N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide has a molecular weight of 152.12 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide is sourced from PubChem (CID 123521778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).