1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene

C10H8BrClF2 — CID 170497258

IUPAC1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene
SMILESFc1ccc(C=CCCBr)c(F)c1Cl
InChIInChI=1S/C10H8BrClF2/c11-6-2-1-3-7-4-5-8(13)9(12)10(7)14/h1,3-5H,2,6H2
InChIKeyDUOLALWDQIETLI-UHFFFAOYSA-N
MW281.53 g/mol
LogP4.42
Rot. Bonds3

About 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene

1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene (PubChem CID 170497258) has the molecular formula C10H8BrClF2 and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene
PubChem CID170497258
Molecular FormulaC10H8BrClF2
Molecular Weight281.53 g/mol
Exact Mass279.95
IUPAC Name1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene
SMILESFc1ccc(C=CCCBr)c(F)c1Cl
InChIInChI=1S/C10H8BrClF2/c11-6-2-1-3-7-4-5-8(13)9(12)10(7)14/h1,3-5H,2,6H2
InChIKeyDUOLALWDQIETLI-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobut-1-enyl)-3,4-difluoro-2-methylbenzene
CID 170497285
1-[(E)-4-bromobut-1-enyl]-4-chloro-2-fluoro-3-methylbenzene
CID 130593466
4-(4-bromobut-1-enyl)-2-chloro-1-fluorobenzene
CID 170497026
2-(4-bromobut-1-enyl)-1,4-difluorobenzene
CID 79603526
2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
CID 170497380
4-(4-bromobut-1-enyl)-5-chloro-2-fluoroaniline
CID 170497500
3-(4-bromobut-1-enyl)-2,6-dichloropyridine
CID 170497191
4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
CID 170498473
4-(4-bromobut-1-enyl)-2,5-difluorobenzaldehyde
CID 170497757
4-(4-bromobut-1-enyl)-2,3-dichloropyridine
CID 170498497
2-(4-bromobut-1-enyl)-5-fluoroaniline
CID 170497144
1-[(E)-6-bromohex-1-enyl]-2,4-dichlorobenzene
CID 10638478

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene?
The IUPAC name of 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene (CID 170497258) is 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene.
What is the SMILES notation for 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene?
The canonical SMILES for 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene is Fc1ccc(C=CCCBr)c(F)c1Cl.
What is the InChIKey of 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene?
The InChIKey is DUOLALWDQIETLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF2/c11-6-2-1-3-7-4-5-8(13)9(12)10(7)14/h1,3-5H,2,6H2.
What are the key properties of 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene?
1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene has a molecular weight of 281.53 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobut-1-enyl)-3-chloro-2,4-difluorobenzene is sourced from PubChem (CID 170497258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).