N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide

C5H6F3N3 — CID 176527248

IUPACN-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide
SMILES[H]/N=C/N=C(\NC=C)C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-2-10-4(11-3-9)5(6,7)8/h2-3H,1H2,(H2,9,10,11)
InChIKeyODPQELXGMYGYJR-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.29
Rot. Bonds2

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

N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide (PubChem CID 176527248) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide
PubChem CID176527248
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC NameN-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide
SMILES[H]/N=C/N=C(\NC=C)C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-2-10-4(11-3-9)5(6,7)8/h2-3H,1H2,(H2,9,10,11)
InChIKeyODPQELXGMYGYJR-UHFFFAOYSA-N
XLogP1.29
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.29
H-Bond Donors ≤ 52
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-2,2,2-trifluoro-N'-methanimidoylethanimidamide?
The IUPAC name of N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide (CID 176527248) is N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide.
What is the SMILES notation for N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide?
The canonical SMILES for N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide is [H]/N=C/N=C(\NC=C)C(F)(F)F.
What is the InChIKey of N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide?
The InChIKey is ODPQELXGMYGYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-2-10-4(11-3-9)5(6,7)8/h2-3H,1H2,(H2,9,10,11).
What are the key properties of N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide?
N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide has a molecular weight of 165.12 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide is sourced from PubChem (CID 176527248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).