4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol

C12H15FO2 — CID 123179146

IUPAC4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol
SMILESC#CCCCOC(=C)C(=CC(=C)F)CO
InChIInChI=1S/C12H15FO2/c1-4-5-6-7-15-11(3)12(9-14)8-10(2)13/h1,8,14H,2-3,5-7,9H2
InChIKeyLKRUIRYXMVYSJJ-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.33
Rot. Bonds7

About 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol

4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol (PubChem CID 123179146) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol
PubChem CID123179146
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol
SMILESC#CCCCOC(=C)C(=CC(=C)F)CO
InChIInChI=1S/C12H15FO2/c1-4-5-6-7-15-11(3)12(9-14)8-10(2)13/h1,8,14H,2-3,5-7,9H2
InChIKeyLKRUIRYXMVYSJJ-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol?
The IUPAC name of 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol (CID 123179146) is 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol.
What is the SMILES notation for 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol?
The canonical SMILES for 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol is C#CCCCOC(=C)C(=CC(=C)F)CO.
What is the InChIKey of 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol?
The InChIKey is LKRUIRYXMVYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-4-5-6-7-15-11(3)12(9-14)8-10(2)13/h1,8,14H,2-3,5-7,9H2.
What are the key properties of 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol?
4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol has a molecular weight of 210.25 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-pent-4-ynoxyethenyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 123179146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).