1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene

C11H9Br2F — CID 125477421

IUPAC1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene
SMILESC=CC/C(Br)=C(/Br)c1ccc(F)cc1
InChIInChI=1S/C11H9Br2F/c1-2-3-10(12)11(13)8-4-6-9(14)7-5-8/h2,4-7H,1,3H2/b11-10-
InChIKeyRNDGXLKFJURNCG-KHPPLWFESA-N
MW320.00 g/mol
LogP4.86
Rot. Bonds3

About 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene

1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene (PubChem CID 125477421) has the molecular formula C11H9Br2F and a molecular weight of 320.00 g/mol. Its IUPAC name is 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene
PubChem CID125477421
Molecular FormulaC11H9Br2F
Molecular Weight320.00 g/mol
Exact Mass317.91
IUPAC Name1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene
SMILESC=CC/C(Br)=C(/Br)c1ccc(F)cc1
InChIInChI=1S/C11H9Br2F/c1-2-3-10(12)11(13)8-4-6-9(14)7-5-8/h2,4-7H,1,3H2/b11-10-
InChIKeyRNDGXLKFJURNCG-KHPPLWFESA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.00
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene?
The IUPAC name of 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene (CID 125477421) is 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene?
The canonical SMILES for 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene is C=CC/C(Br)=C(/Br)c1ccc(F)cc1.
What is the InChIKey of 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene?
The InChIKey is RNDGXLKFJURNCG-KHPPLWFESA-N. The full InChI is InChI=1S/C11H9Br2F/c1-2-3-10(12)11(13)8-4-6-9(14)7-5-8/h2,4-7H,1,3H2/b11-10-.
What are the key properties of 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene?
1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene has a molecular weight of 320.00 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene is sourced from PubChem (CID 125477421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).