1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene

C10H9Cl2F — CID 54219204

IUPAC1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene
SMILESFc1ccccc1CC(Cl)=CCCl
InChIInChI=1S/C10H9Cl2F/c11-6-5-9(12)7-8-3-1-2-4-10(8)13/h1-5H,6-7H2
InChIKeyQBIPGYZYGMGLHK-UHFFFAOYSA-N
MW219.09 g/mol
LogP3.73
Rot. Bonds3

About 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene

1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene (PubChem CID 54219204) has the molecular formula C10H9Cl2F and a molecular weight of 219.09 g/mol. Its IUPAC name is 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene
PubChem CID54219204
Molecular FormulaC10H9Cl2F
Molecular Weight219.09 g/mol
Exact Mass218.01
IUPAC Name1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene
SMILESFc1ccccc1CC(Cl)=CCCl
InChIInChI=1S/C10H9Cl2F/c11-6-5-9(12)7-8-3-1-2-4-10(8)13/h1-5H,6-7H2
InChIKeyQBIPGYZYGMGLHK-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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azane;1-fluoro-2-(fluoromethyl)benzene
CID 174977857
fluoro 2-(2-fluorophenyl)acetate
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3-(2-fluorophenyl)propanoic acid
CID 2063866
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CID 23737434
(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate
CID 154723270
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CID 19919493
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
4-(2-fluorophenyl)butan-2-ol
CID 12618518

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene?
The IUPAC name of 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene (CID 54219204) is 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene.
What is the SMILES notation for 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene?
The canonical SMILES for 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene is Fc1ccccc1CC(Cl)=CCCl.
What is the InChIKey of 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene?
The InChIKey is QBIPGYZYGMGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F/c11-6-5-9(12)7-8-3-1-2-4-10(8)13/h1-5H,6-7H2.
What are the key properties of 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene?
1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene has a molecular weight of 219.09 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobut-2-enyl)-2-fluorobenzene is sourced from PubChem (CID 54219204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).