(2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine

C8H10F3N — CID 143519476

IUPAC(2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\CC)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-5-7(6-12-4-2)8(9,10)11/h3,5-6H,1,4H2,2H3/b7-5+,12-6+
InChIKeyXPXMRYFZVUCDMR-YTEPGLGFSA-N
MW177.17 g/mol
LogP2.75
Rot. Bonds3

About (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine

(2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine (PubChem CID 143519476) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
PubChem CID143519476
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\CC)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-5-7(6-12-4-2)8(9,10)11/h3,5-6H,1,4H2,2H3/b7-5+,12-6+
InChIKeyXPXMRYFZVUCDMR-YTEPGLGFSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine (CID 143519476) is (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine is C=C/C=C(\C=N\CC)C(F)(F)F.
What is the InChIKey of (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The InChIKey is XPXMRYFZVUCDMR-YTEPGLGFSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-5-7(6-12-4-2)8(9,10)11/h3,5-6H,1,4H2,2H3/b7-5+,12-6+.
What are the key properties of (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine?
(2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine has a molecular weight of 177.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 143519476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).