2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

C7H9F3N2 — CID 145136555

IUPAC2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=N/C(=N\C=C(C)C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(2)4-12-6(11-3)7(8,9)10/h4H,3H2,1-2H3/b12-6-
InChIKeyPRLFWCOQKLHNOZ-SDQBBNPISA-N
MW178.16 g/mol
LogP2.57
Rot. Bonds1

About 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (PubChem CID 145136555) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
PubChem CID145136555
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=N/C(=N\C=C(C)C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(2)4-12-6(11-3)7(8,9)10/h4H,3H2,1-2H3/b12-6-
InChIKeyPRLFWCOQKLHNOZ-SDQBBNPISA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
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 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (CID 145136555) is 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is C=N/C(=N\C=C(C)C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The InChIKey is PRLFWCOQKLHNOZ-SDQBBNPISA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(2)4-12-6(11-3)7(8,9)10/h4H,3H2,1-2H3/b12-6-.
What are the key properties of 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide has a molecular weight of 178.16 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is sourced from PubChem (CID 145136555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).