1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene

C18H16F2O — CID 164676360

IUPAC1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene
SMILESCO/C(=C\C=C\Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2O/c1-21-18(15-8-12-17(20)13-9-15)5-3-2-4-14-6-10-16(19)11-7-14/h2-3,5-13H,4H2,1H3/b3-2+,18-5-
InChIKeyYHUPRMJGMINJKF-YTKWLHLVSA-N
MW286.32 g/mol
LogP4.75
Rot. Bonds5

About 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene

1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene (PubChem CID 164676360) has the molecular formula C18H16F2O and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene
PubChem CID164676360
Molecular FormulaC18H16F2O
Molecular Weight286.32 g/mol
Exact Mass286.12
IUPAC Name1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene
SMILESCO/C(=C\C=C\Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2O/c1-21-18(15-8-12-17(20)13-9-15)5-3-2-4-14-6-10-16(19)11-7-14/h2-3,5-13H,4H2,1H3/b3-2+,18-5-
InChIKeyYHUPRMJGMINJKF-YTKWLHLVSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene?
The IUPAC name of 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene (CID 164676360) is 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene is CO/C(=C\C=C\Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene?
The InChIKey is YHUPRMJGMINJKF-YTKWLHLVSA-N. The full InChI is InChI=1S/C18H16F2O/c1-21-18(15-8-12-17(20)13-9-15)5-3-2-4-14-6-10-16(19)11-7-14/h2-3,5-13H,4H2,1H3/b3-2+,18-5-.
What are the key properties of 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene?
1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene has a molecular weight of 286.32 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1Z,3E)-5-(4-fluorophenyl)-1-methoxypenta-1,3-dienyl]benzene is sourced from PubChem (CID 164676360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).