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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Related Compounds

(2E,4Z)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-(6-propoxy-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 87600137
1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol
CID 88561399
(2E,4Z)-5-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87598688
5-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91172090
(2E,4E)-5-[6-(4-methoxybutan-2-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87621144
(2E,4Z)-5-(6-ethoxy-3-pyridinyl)-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 57385290
N-methyl-6-propoxypyridine-3-carboxamide
CID 66904923
5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 141194632
[2-propoxy-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 53216367
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 57386566
(3Z,5E)-3-[4-(trifluoromethyl)phenyl]hepta-3,5-dien-2-one
CID 141194637

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).