(2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol

C13H13F4NO2 — CID 10517665

IUPAC(2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol
SMILESOC/C=C/C=C/c1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C13H13F4NO2/c14-12(15)13(16,17)9-20-11-6-5-10(8-18-11)4-2-1-3-7-19/h1-6,8,12,19H,7,9H2/b3-1+,4-2+
InChIKeyYFPLTORDXWTCKC-ZPUQHVIOSA-N
MW291.24 g/mol
LogP2.92
Rot. Bonds7

About (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol

(2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol (PubChem CID 10517665) has the molecular formula C13H13F4NO2 and a molecular weight of 291.24 g/mol. Its IUPAC name is (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol
PubChem CID10517665
Molecular FormulaC13H13F4NO2
Molecular Weight291.24 g/mol
Exact Mass291.09
IUPAC Name(2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol
SMILESOC/C=C/C=C/c1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C13H13F4NO2/c14-12(15)13(16,17)9-20-11-6-5-10(8-18-11)4-2-1-3-7-19/h1-6,8,12,19H,7,9H2/b3-1+,4-2+
InChIKeyYFPLTORDXWTCKC-ZPUQHVIOSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol with MolForge

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Related Compounds

4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
2-Ethoxypyridine
CID 84499
5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy)-pyridine
CID 11666852
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
Allyl 2-pyridyl ether
CID 79906
2-(Benzyloxy)pyridine
CID 295859
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
Butyl 2-pyridyl ether
CID 95701
2-(Trifluoroacetoxy)pyridine
CID 4638214

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol (CID 10517665) is (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol is OC/C=C/C=C/c1ccc(OCC(F)(F)C(F)F)nc1.
What is the InChIKey of (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol?
The InChIKey is YFPLTORDXWTCKC-ZPUQHVIOSA-N. The full InChI is InChI=1S/C13H13F4NO2/c14-12(15)13(16,17)9-20-11-6-5-10(8-18-11)4-2-1-3-7-19/h1-6,8,12,19H,7,9H2/b3-1+,4-2+.
What are the key properties of (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol?
(2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol has a molecular weight of 291.24 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 10517665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).