2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine

C20H20F3NO — CID 141194663

IUPAC2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine
SMILESCC=CC=C(c1ccc(C(F)(F)F)cc1)c1ccc(OCCC)nc1
InChIInChI=1S/C20H20F3NO/c1-3-5-6-18(15-7-10-17(11-8-15)20(21,22)23)16-9-12-19(24-14-16)25-13-4-2/h3,5-12,14H,4,13H2,1-2H3
InChIKeyWVOCZSPJEMNBDO-UHFFFAOYSA-N
MW347.38 g/mol
LogP5.90
Rot. Bonds6

About 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine

2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine (PubChem CID 141194663) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine
PubChem CID141194663
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine
SMILESCC=CC=C(c1ccc(C(F)(F)F)cc1)c1ccc(OCCC)nc1
InChIInChI=1S/C20H20F3NO/c1-3-5-6-18(15-7-10-17(11-8-15)20(21,22)23)16-9-12-19(24-14-16)25-13-4-2/h3,5-12,14H,4,13H2,1-2H3
InChIKeyWVOCZSPJEMNBDO-UHFFFAOYSA-N
XLogP5.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine?
The IUPAC name of 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine (CID 141194663) is 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine.
What is the SMILES notation for 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine?
The canonical SMILES for 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine is CC=CC=C(c1ccc(C(F)(F)F)cc1)c1ccc(OCCC)nc1.
What is the InChIKey of 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine?
The InChIKey is WVOCZSPJEMNBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO/c1-3-5-6-18(15-7-10-17(11-8-15)20(21,22)23)16-9-12-19(24-14-16)25-13-4-2/h3,5-12,14H,4,13H2,1-2H3.
What are the key properties of 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine?
2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine has a molecular weight of 347.38 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-5-[1-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]pyridine is sourced from PubChem (CID 141194663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).