(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine

C13H20F3N — CID 166907528

IUPAC(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine
SMILESC=C/N=C(\C=C(/C)C(F)(F)F)C(C)C(C)CC
InChIInChI=1S/C13H20F3N/c1-6-9(3)11(5)12(17-7-2)8-10(4)13(14,15)16/h7-9,11H,2,6H2,1,3-5H3/b10-8+,17-12+
InChIKeyKCRUPHBIYLPXFP-WJISXQBPSA-N
MW247.30 g/mol
LogP4.76
Rot. Bonds5

About (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine

(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine (PubChem CID 166907528) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine
PubChem CID166907528
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine
SMILESC=C/N=C(\C=C(/C)C(F)(F)F)C(C)C(C)CC
InChIInChI=1S/C13H20F3N/c1-6-9(3)11(5)12(17-7-2)8-10(4)13(14,15)16/h7-9,11H,2,6H2,1,3-5H3/b10-8+,17-12+
InChIKeyKCRUPHBIYLPXFP-WJISXQBPSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine?
The IUPAC name of (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine (CID 166907528) is (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine.
What is the SMILES notation for (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine?
The canonical SMILES for (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine is C=C/N=C(\C=C(/C)C(F)(F)F)C(C)C(C)CC.
What is the InChIKey of (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine?
The InChIKey is KCRUPHBIYLPXFP-WJISXQBPSA-N. The full InChI is InChI=1S/C13H20F3N/c1-6-9(3)11(5)12(17-7-2)8-10(4)13(14,15)16/h7-9,11H,2,6H2,1,3-5H3/b10-8+,17-12+.
What are the key properties of (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine?
(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine has a molecular weight of 247.30 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine is sourced from PubChem (CID 166907528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).