(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine

C14H14F3N — CID 129276493

IUPAC(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
SMILESC=C/C=C(\C=C1/CC=C(C=C)C=N1)CC(F)(F)F
InChIInChI=1S/C14H14F3N/c1-3-5-12(9-14(15,16)17)8-13-7-6-11(4-2)10-18-13/h3-6,8,10H,1-2,7,9H2/b12-5+,13-8+
InChIKeyNJQRKKUJPVNMPV-MLQRZSMFSA-N
MW253.27 g/mol
LogP4.52
Rot. Bonds4

About (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine

(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine (PubChem CID 129276493) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine.

Molecular Properties

Compound Name(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
PubChem CID129276493
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
SMILESC=C/C=C(\C=C1/CC=C(C=C)C=N1)CC(F)(F)F
InChIInChI=1S/C14H14F3N/c1-3-5-12(9-14(15,16)17)8-13-7-6-11(4-2)10-18-13/h3-6,8,10H,1-2,7,9H2/b12-5+,13-8+
InChIKeyNJQRKKUJPVNMPV-MLQRZSMFSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.52
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 (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine?
The IUPAC name of (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine (CID 129276493) is (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine.
What is the SMILES notation for (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine?
The canonical SMILES for (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine is C=C/C=C(\C=C1/CC=C(C=C)C=N1)CC(F)(F)F.
What is the InChIKey of (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine?
The InChIKey is NJQRKKUJPVNMPV-MLQRZSMFSA-N. The full InChI is InChI=1S/C14H14F3N/c1-3-5-12(9-14(15,16)17)8-13-7-6-11(4-2)10-18-13/h3-6,8,10H,1-2,7,9H2/b12-5+,13-8+.
What are the key properties of (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine?
(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine has a molecular weight of 253.27 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine is sourced from PubChem (CID 129276493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).