N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide

C8H13F3N2 — CID 147902599

IUPACN-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide
SMILESC=CN/C(=N\CC(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-4-12-7(8(9,10)11)13-5-6(2)3/h4,6H,1,5H2,2-3H3,(H,12,13)
InChIKeyIEOGUYWVSMLBGI-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.34
Rot. Bonds3

About N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide

N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide (PubChem CID 147902599) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide
PubChem CID147902599
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC NameN-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide
SMILESC=CN/C(=N\CC(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-4-12-7(8(9,10)11)13-5-6(2)3/h4,6H,1,5H2,2-3H3,(H,12,13)
InChIKeyIEOGUYWVSMLBGI-UHFFFAOYSA-N
XLogP2.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.34
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-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide?
The IUPAC name of N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide (CID 147902599) is N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide.
What is the SMILES notation for N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide?
The canonical SMILES for N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide is C=CN/C(=N\CC(C)C)C(F)(F)F.
What is the InChIKey of N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide?
The InChIKey is IEOGUYWVSMLBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-4-12-7(8(9,10)11)13-5-6(2)3/h4,6H,1,5H2,2-3H3,(H,12,13).
What are the key properties of N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide?
N-ethenyl-2,2,2-trifluoro-N'-(2-methylpropyl)ethanimidamide has a molecular weight of 194.20 g/mol, XLogP of 2.34, 3 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'-(2-methylpropyl)ethanimidamide is sourced from PubChem (CID 147902599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).