5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene

C8H9Br2F — CID 141207065

IUPAC5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene
SMILESFC1(CBr)C=CC=CC1CBr
InChIInChI=1S/C8H9Br2F/c9-5-7-3-1-2-4-8(7,11)6-10/h1-4,7H,5-6H2
InChIKeyFARJSXWXSBMADO-UHFFFAOYSA-N
MW283.97 g/mol
LogP3.23
Rot. Bonds2

About 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene

5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene (PubChem CID 141207065) has the molecular formula C8H9Br2F and a molecular weight of 283.97 g/mol. Its IUPAC name is 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene
PubChem CID141207065
Molecular FormulaC8H9Br2F
Molecular Weight283.97 g/mol
Exact Mass281.91
IUPAC Name5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene
SMILESFC1(CBr)C=CC=CC1CBr
InChIInChI=1S/C8H9Br2F/c9-5-7-3-1-2-4-8(7,11)6-10/h1-4,7H,5-6H2
InChIKeyFARJSXWXSBMADO-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene?
The IUPAC name of 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene (CID 141207065) is 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene is FC1(CBr)C=CC=CC1CBr.
What is the InChIKey of 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene?
The InChIKey is FARJSXWXSBMADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2F/c9-5-7-3-1-2-4-8(7,11)6-10/h1-4,7H,5-6H2.
What are the key properties of 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene?
5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene has a molecular weight of 283.97 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(bromomethyl)-5-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 141207065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).