2-(4-bromobut-1-enyl)-1,4-difluorobenzene

C10H9BrF2 — CID 79603526

IUPAC2-(4-bromobut-1-enyl)-1,4-difluorobenzene
SMILESFc1ccc(F)c(C=CCCBr)c1
InChIInChI=1S/C10H9BrF2/c11-6-2-1-3-8-7-9(12)4-5-10(8)13/h1,3-5,7H,2,6H2
InChIKeyZFUIRDIHMQOLRI-UHFFFAOYSA-N
MW247.08 g/mol
LogP3.76
Rot. Bonds3

About 2-(4-bromobut-1-enyl)-1,4-difluorobenzene

2-(4-bromobut-1-enyl)-1,4-difluorobenzene (PubChem CID 79603526) has the molecular formula C10H9BrF2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 2-(4-bromobut-1-enyl)-1,4-difluorobenzene.

Molecular Properties

Compound Name2-(4-bromobut-1-enyl)-1,4-difluorobenzene
PubChem CID79603526
Molecular FormulaC10H9BrF2
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Name2-(4-bromobut-1-enyl)-1,4-difluorobenzene
SMILESFc1ccc(F)c(C=CCCBr)c1
InChIInChI=1S/C10H9BrF2/c11-6-2-1-3-8-7-9(12)4-5-10(8)13/h1,3-5,7H,2,6H2
InChIKeyZFUIRDIHMQOLRI-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 53.76
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 2-(4-bromobut-1-enyl)-1,4-difluorobenzene?
The IUPAC name of 2-(4-bromobut-1-enyl)-1,4-difluorobenzene (CID 79603526) is 2-(4-bromobut-1-enyl)-1,4-difluorobenzene.
What is the SMILES notation for 2-(4-bromobut-1-enyl)-1,4-difluorobenzene?
The canonical SMILES for 2-(4-bromobut-1-enyl)-1,4-difluorobenzene is Fc1ccc(F)c(C=CCCBr)c1.
What is the InChIKey of 2-(4-bromobut-1-enyl)-1,4-difluorobenzene?
The InChIKey is ZFUIRDIHMQOLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2/c11-6-2-1-3-8-7-9(12)4-5-10(8)13/h1,3-5,7H,2,6H2.
What are the key properties of 2-(4-bromobut-1-enyl)-1,4-difluorobenzene?
2-(4-bromobut-1-enyl)-1,4-difluorobenzene has a molecular weight of 247.08 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobut-1-enyl)-1,4-difluorobenzene is sourced from PubChem (CID 79603526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).