5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene

C8H8BrF — CID 23056494

IUPAC5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene
SMILESC=CC1(Br)C=CC(F)=CC1
InChIInChI=1S/C8H8BrF/c1-2-8(9)5-3-7(10)4-6-8/h2-5H,1,6H2
InChIKeyNTWRKBQVRIVNRY-UHFFFAOYSA-N
MW203.05 g/mol
LogP3.12
Rot. Bonds1

About 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene

5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene (PubChem CID 23056494) has the molecular formula C8H8BrF and a molecular weight of 203.05 g/mol. Its IUPAC name is 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene
PubChem CID23056494
Molecular FormulaC8H8BrF
Molecular Weight203.05 g/mol
Exact Mass201.98
IUPAC Name5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene
SMILESC=CC1(Br)C=CC(F)=CC1
InChIInChI=1S/C8H8BrF/c1-2-8(9)5-3-7(10)4-6-8/h2-5H,1,6H2
InChIKeyNTWRKBQVRIVNRY-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-2-fluorostyrene
CID 139947640
4-Brom-p-xylol
CID 21285705
1-Bromstyrol
CID 21877402
1,2-Di bromostyrene
CID 22495076
o-Dibromoxylene
CID 23052226
1-Bromophenylethane
CID 53401395
Xylenylbromid
CID 66699639
m-Dibromotoluene
CID 66964718
5-Bromo-1-fluorocyclohexa-1,3-diene
CID 18696359
6-(2-Bromoethyl)-1,6-difluorocyclohexa-1,4-diene
CID 18767237
1-Bromo-2-fluorocyclohexa-1,3-diene
CID 19428237
2-Bromo-1-fluoro-3-methylcyclohexa-1,3-diene
CID 23139023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene (CID 23056494) is 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene is C=CC1(Br)C=CC(F)=CC1.
What is the InChIKey of 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene?
The InChIKey is NTWRKBQVRIVNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF/c1-2-8(9)5-3-7(10)4-6-8/h2-5H,1,6H2.
What are the key properties of 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene?
5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene has a molecular weight of 203.05 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 23056494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).