1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene

C16H12F2 — CID 12032378

IUPAC1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
SMILESFc1ccc(/C=C/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12F2/c17-15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(18)12-8-14/h1-12H/b3-1+,4-2+
InChIKeyIIRIHPOLGWYEBG-ZPUQHVIOSA-N
MW242.27 g/mol
LogP4.69
Rot. Bonds3

About 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene

1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene (PubChem CID 12032378) has the molecular formula C16H12F2 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
PubChem CID12032378
Molecular FormulaC16H12F2
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
SMILESFc1ccc(/C=C/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12F2/c17-15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(18)12-8-14/h1-12H/b3-1+,4-2+
InChIKeyIIRIHPOLGWYEBG-ZPUQHVIOSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene?
The IUPAC name of 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene (CID 12032378) is 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene is Fc1ccc(/C=C/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene?
The InChIKey is IIRIHPOLGWYEBG-ZPUQHVIOSA-N. The full InChI is InChI=1S/C16H12F2/c17-15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(18)12-8-14/h1-12H/b3-1+,4-2+.
What are the key properties of 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene?
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene has a molecular weight of 242.27 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene is sourced from PubChem (CID 12032378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).