(4-bromo-4-fluorobut-3-enyl)benzene

C10H10BrF — CID 71421113

IUPAC(4-bromo-4-fluorobut-3-enyl)benzene
SMILESFC(Br)=CCCc1ccccc1
InChIInChI=1S/C10H10BrF/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKeyNVBYWUCNEWDHIM-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.83
Rot. Bonds3

About (4-bromo-4-fluorobut-3-enyl)benzene

(4-bromo-4-fluorobut-3-enyl)benzene (PubChem CID 71421113) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is (4-bromo-4-fluorobut-3-enyl)benzene.

Molecular Properties

Compound Name(4-bromo-4-fluorobut-3-enyl)benzene
PubChem CID71421113
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name(4-bromo-4-fluorobut-3-enyl)benzene
SMILESFC(Br)=CCCc1ccccc1
InChIInChI=1S/C10H10BrF/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKeyNVBYWUCNEWDHIM-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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[(Z)-1-fluoro-4-phenylbut-1-enyl]-triphenylgermane
CID 23237171
5,5-difluoropent-4-enylbenzene
CID 15268524
[(E)-1-chloro-4-phenylbut-1-enyl]benzene
CID 22020271
[(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene
CID 11586810
5-fluorohexa-3,4-dienylbenzene
CID 162374144
[(3Z)-3-fluoro-6-phenylhexa-1,3-dien-2-yl]-trimethylsilane
CID 102212098
(E)-N,N-dibenzyl-1,1,1-trifluoro-5-phenylpent-2-en-2-amine
CID 177398671
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
(4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane
CID 11128728

Frequently Asked Questions

What is the IUPAC name of (4-bromo-4-fluorobut-3-enyl)benzene?
The IUPAC name of (4-bromo-4-fluorobut-3-enyl)benzene (CID 71421113) is (4-bromo-4-fluorobut-3-enyl)benzene.
What is the SMILES notation for (4-bromo-4-fluorobut-3-enyl)benzene?
The canonical SMILES for (4-bromo-4-fluorobut-3-enyl)benzene is FC(Br)=CCCc1ccccc1.
What is the InChIKey of (4-bromo-4-fluorobut-3-enyl)benzene?
The InChIKey is NVBYWUCNEWDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2.
What are the key properties of (4-bromo-4-fluorobut-3-enyl)benzene?
(4-bromo-4-fluorobut-3-enyl)benzene has a molecular weight of 229.09 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-4-fluorobut-3-enyl)benzene is sourced from PubChem (CID 71421113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).