N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide

C6H9F3N2 — CID 88979778

IUPACN-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
SMILESC=CN/C(C)=N/CC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-3-10-5(2)11-4-6(7,8)9/h3H,1,4H2,2H3,(H,10,11)
InChIKeyXEBFOTDBHJSCEK-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.70
Rot. Bonds2

About N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide

N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide (PubChem CID 88979778) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
PubChem CID88979778
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC NameN-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
SMILESC=CN/C(C)=N/CC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-3-10-5(2)11-4-6(7,8)9/h3H,1,4H2,2H3,(H,10,11)
InChIKeyXEBFOTDBHJSCEK-UHFFFAOYSA-N
XLogP1.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.70
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The IUPAC name of N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide (CID 88979778) is N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide.
What is the SMILES notation for N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The canonical SMILES for N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide is C=CN/C(C)=N/CC(F)(F)F.
What is the InChIKey of N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
The InChIKey is XEBFOTDBHJSCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-3-10-5(2)11-4-6(7,8)9/h3H,1,4H2,2H3,(H,10,11).
What are the key properties of N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide?
N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide has a molecular weight of 166.15 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide is sourced from PubChem (CID 88979778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).