1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene

C9H7BrClF — CID 169478313

IUPAC1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene
SMILESFc1cccc(Br)c1C=CCCl
InChIInChI=1S/C9H7BrClF/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5H,6H2
InChIKeyADWRBTGZWAHKPK-UHFFFAOYSA-N
MW249.51 g/mol
LogP3.84
Rot. Bonds2

About 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene

1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene (PubChem CID 169478313) has the molecular formula C9H7BrClF and a molecular weight of 249.51 g/mol. Its IUPAC name is 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene
PubChem CID169478313
Molecular FormulaC9H7BrClF
Molecular Weight249.51 g/mol
Exact Mass247.94
IUPAC Name1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene
SMILESFc1cccc(Br)c1C=CCCl
InChIInChI=1S/C9H7BrClF/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5H,6H2
InChIKeyADWRBTGZWAHKPK-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene?
The IUPAC name of 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene (CID 169478313) is 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene is Fc1cccc(Br)c1C=CCCl.
What is the InChIKey of 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene?
The InChIKey is ADWRBTGZWAHKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF/c10-8-4-1-5-9(12)7(8)3-2-6-11/h1-5H,6H2.
What are the key properties of 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene?
1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene has a molecular weight of 249.51 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene is sourced from PubChem (CID 169478313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).