(4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine

C14H18F3N — CID 156544883

IUPAC(4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine
SMILESC=C/C(=C\C=C1/C=CN(C)CC1CC)C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-4-11-10-18(3)9-8-12(11)6-7-13(5-2)14(15,16)17/h5-9,11H,2,4,10H2,1,3H3/b12-6+,13-7+
InChIKeyWDGICIMLOHXWRT-PWHKKFIBSA-N
MW257.30 g/mol
LogP4.07
Rot. Bonds3

About (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine

(4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine (PubChem CID 156544883) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine.

Molecular Properties

Compound Name(4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine
PubChem CID156544883
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine
SMILESC=C/C(=C\C=C1/C=CN(C)CC1CC)C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-4-11-10-18(3)9-8-12(11)6-7-13(5-2)14(15,16)17/h5-9,11H,2,4,10H2,1,3H3/b12-6+,13-7+
InChIKeyWDGICIMLOHXWRT-PWHKKFIBSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine?
The IUPAC name of (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine (CID 156544883) is (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine.
What is the SMILES notation for (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine?
The canonical SMILES for (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine is C=C/C(=C\C=C1/C=CN(C)CC1CC)C(F)(F)F.
What is the InChIKey of (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine?
The InChIKey is WDGICIMLOHXWRT-PWHKKFIBSA-N. The full InChI is InChI=1S/C14H18F3N/c1-4-11-10-18(3)9-8-12(11)6-7-13(5-2)14(15,16)17/h5-9,11H,2,4,10H2,1,3H3/b12-6+,13-7+.
What are the key properties of (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine?
(4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine has a molecular weight of 257.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-ethyl-1-methyl-4-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]-2,3-dihydropyridine is sourced from PubChem (CID 156544883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).