4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene

C10H9BrClF — CID 170497026

IUPAC4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
SMILESFc1ccc(C=CCCBr)cc1Cl
InChIInChI=1S/C10H9BrClF/c11-6-2-1-3-8-4-5-10(13)9(12)7-8/h1,3-5,7H,2,6H2
InChIKeyHQUKAIMFOFMNEF-UHFFFAOYSA-N
MW263.54 g/mol
LogP4.28
Rot. Bonds3

About 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene

4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene (PubChem CID 170497026) has the molecular formula C10H9BrClF and a molecular weight of 263.54 g/mol. Its IUPAC name is 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
PubChem CID170497026
Molecular FormulaC10H9BrClF
Molecular Weight263.54 g/mol
Exact Mass261.96
IUPAC Name4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
SMILESFc1ccc(C=CCCBr)cc1Cl
InChIInChI=1S/C10H9BrClF/c11-6-2-1-3-8-4-5-10(13)9(12)7-8/h1,3-5,7H,2,6H2
InChIKeyHQUKAIMFOFMNEF-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.54
LogP ≤ 54.28
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

4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170495335
4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 170497926
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
4-[(E)-5-bromopent-2-enyl]-2-chloro-1-fluorobenzene
CID 103042216
1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene
CID 170497258
2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
CID 170497380
4-(4-bromobut-1-enyl)-5-chloro-2-fluoroaniline
CID 170497500
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
tert-butyl N-[4-(3-chloro-4-fluorophenyl)but-3-enyl]carbamate
CID 170490014
4-(4-bromobut-1-enyl)-2,6-difluorophenol
CID 170497385
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene?
The IUPAC name of 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene (CID 170497026) is 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene is Fc1ccc(C=CCCBr)cc1Cl.
What is the InChIKey of 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene?
The InChIKey is HQUKAIMFOFMNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF/c11-6-2-1-3-8-4-5-10(13)9(12)7-8/h1,3-5,7H,2,6H2.
What are the key properties of 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene?
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene has a molecular weight of 263.54 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene is sourced from PubChem (CID 170497026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).