5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene

C8H8BrF — CID 139947640

IUPAC5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene
SMILESC=CC1C=CC=CC1(F)Br
InChIInChI=1S/C8H8BrF/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1H2
InChIKeyURRZPWKFDWEICN-UHFFFAOYSA-N
MW203.05 g/mol
LogP2.98
Rot. Bonds1

About 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene

5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene (PubChem CID 139947640) has the molecular formula C8H8BrF and a molecular weight of 203.05 g/mol. Its IUPAC name is 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene
PubChem CID139947640
Molecular FormulaC8H8BrF
Molecular Weight203.05 g/mol
Exact Mass201.98
IUPAC Name5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene
SMILESC=CC1C=CC=CC1(F)Br
InChIInChI=1S/C8H8BrF/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1H2
InChIKeyURRZPWKFDWEICN-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene (CID 139947640) is 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene is C=CC1C=CC=CC1(F)Br.
What is the InChIKey of 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene?
The InChIKey is URRZPWKFDWEICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1H2.
What are the key properties of 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene?
5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene has a molecular weight of 203.05 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethenyl-5-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 139947640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).