4-bromo-2-fluoro-1-prop-2-enylbenzene

C9H8BrF — CID 24722089

IUPAC4-bromo-2-fluoro-1-prop-2-enylbenzene
SMILESC=CCc1ccc(Br)cc1F
InChIInChI=1S/C9H8BrF/c1-2-3-7-4-5-8(10)6-9(7)11/h2,4-6H,1,3H2
InChIKeyJAXNPZRXQGFHMK-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.32
Rot. Bonds2

About 4-bromo-2-fluoro-1-prop-2-enylbenzene

4-bromo-2-fluoro-1-prop-2-enylbenzene (PubChem CID 24722089) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-prop-2-enylbenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-prop-2-enylbenzene
PubChem CID24722089
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name4-bromo-2-fluoro-1-prop-2-enylbenzene
SMILESC=CCc1ccc(Br)cc1F
InChIInChI=1S/C9H8BrF/c1-2-3-7-4-5-8(10)6-9(7)11/h2,4-6H,1,3H2
InChIKeyJAXNPZRXQGFHMK-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene
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4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
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1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
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1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 111548459
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
1-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-4-bromo-2-fluorobenzene
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4-bromo-2-fluoro-1-(heptoxymethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-prop-2-enylbenzene?
The IUPAC name of 4-bromo-2-fluoro-1-prop-2-enylbenzene (CID 24722089) is 4-bromo-2-fluoro-1-prop-2-enylbenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-prop-2-enylbenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-prop-2-enylbenzene is C=CCc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-prop-2-enylbenzene?
The InChIKey is JAXNPZRXQGFHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c1-2-3-7-4-5-8(10)6-9(7)11/h2,4-6H,1,3H2.
What are the key properties of 4-bromo-2-fluoro-1-prop-2-enylbenzene?
4-bromo-2-fluoro-1-prop-2-enylbenzene has a molecular weight of 215.06 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-prop-2-enylbenzene is sourced from PubChem (CID 24722089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).