[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene

C10H8BrF — CID 134853789

IUPAC[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
SMILESFC(Br)=C/C=C/c1ccccc1
InChIInChI=1S/C10H8BrF/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,10-8?
InChIKeyFRAZEIWMKUTZGW-ZWZRPYISSA-N
MW227.08 g/mol
LogP3.91
Rot. Bonds2

About [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene

[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene (PubChem CID 134853789) has the molecular formula C10H8BrF and a molecular weight of 227.08 g/mol. Its IUPAC name is [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
PubChem CID134853789
Molecular FormulaC10H8BrF
Molecular Weight227.08 g/mol
Exact Mass225.98
IUPAC Name[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene
SMILESFC(Br)=C/C=C/c1ccccc1
InChIInChI=1S/C10H8BrF/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,10-8?
InChIKeyFRAZEIWMKUTZGW-ZWZRPYISSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.08
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylpenta-1,3-dienylbenzene
CID 3614395
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
CID 11087023
CID 11087023
[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene
CID 100974511
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene
CID 11708291
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080

Frequently Asked Questions

What is the IUPAC name of [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene?
The IUPAC name of [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene (CID 134853789) is [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene is FC(Br)=C/C=C/c1ccccc1.
What is the InChIKey of [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene?
The InChIKey is FRAZEIWMKUTZGW-ZWZRPYISSA-N. The full InChI is InChI=1S/C10H8BrF/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,10-8?.
What are the key properties of [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene?
[(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene has a molecular weight of 227.08 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-4-bromo-4-fluorobuta-1,3-dienyl]benzene is sourced from PubChem (CID 134853789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).