4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene

C11H11BrF2 — CID 79018652

IUPAC4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene
SMILESCC(=CCCBr)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11BrF2/c1-8(3-2-6-12)9-4-5-10(13)11(14)7-9/h3-5,7H,2,6H2,1H3
InChIKeyQCIHHNFKACTVTK-UHFFFAOYSA-N
MW261.11 g/mol
LogP4.15
Rot. Bonds3

About 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene

4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene (PubChem CID 79018652) has the molecular formula C11H11BrF2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene
PubChem CID79018652
Molecular FormulaC11H11BrF2
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene
SMILESCC(=CCCBr)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11BrF2/c1-8(3-2-6-12)9-4-5-10(13)11(14)7-9/h3-5,7H,2,6H2,1H3
InChIKeyQCIHHNFKACTVTK-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 54.15
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-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
CID 82934801
4-(bromomethyl)-1,2-difluorobenzene;5-bromo-2-methylpent-2-ene
CID 67659277
1-(5-bromopent-2-en-2-yl)-3-fluoro-5-methylbenzene
CID 79705342
(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
CID 63970099
1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene
CID 79590247
(E)-4-(4-chlorophenyl)pent-3-en-1-ol
CID 11995606
N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
CID 79607279
1-bromo-4-[(Z)-5-bromopent-2-en-2-yl]-2-chloro-3-fluorobenzene
CID 106763763
N-(2-bromoethyl)-3,4-difluoro-N-propan-2-ylbenzamide
CID 80665985
4-(4-fluoro-3-methylphenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607295
1-(5-bromopent-2-en-2-yl)-2-chlorobenzene
CID 79018892
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene?
The IUPAC name of 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene (CID 79018652) is 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene?
The canonical SMILES for 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene is CC(=CCCBr)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene?
The InChIKey is QCIHHNFKACTVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2/c1-8(3-2-6-12)9-4-5-10(13)11(14)7-9/h3-5,7H,2,6H2,1H3.
What are the key properties of 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene?
4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene has a molecular weight of 261.11 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopent-2-en-2-yl)-1,2-difluorobenzene is sourced from PubChem (CID 79018652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).