5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene

C7H7BrF2 — CID 66969920

IUPAC5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene
SMILESCC1(Br)C=CC(F)=CC1F
InChIInChI=1S/C7H7BrF2/c1-7(8)3-2-5(9)4-6(7)10/h2-4,6H,1H3
InChIKeyPFMIGYPVZDWBRS-UHFFFAOYSA-N
MW209.03 g/mol
LogP2.90
Rot. Bonds

About 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene

5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene (PubChem CID 66969920) has the molecular formula C7H7BrF2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene
PubChem CID66969920
Molecular FormulaC7H7BrF2
Molecular Weight209.03 g/mol
Exact Mass207.97
IUPAC Name5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene
SMILESCC1(Br)C=CC(F)=CC1F
InChIInChI=1S/C7H7BrF2/c1-7(8)3-2-5(9)4-6(7)10/h2-4,6H,1H3
InChIKeyPFMIGYPVZDWBRS-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-bromo-2,6-difluoro-5-methylcyclohexa-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

Related Compounds

2-Bromo-2-fluorostyrene
CID 139947640
m-Dibromotoluene
CID 66964718
5-Bromo-2,6-difluorocyclohexa-1,3-diene
CID 17859847
5-Bromo-2,6,6-trifluorocyclohexa-1,3-diene
CID 18429011
5-Bromo-1-fluorocyclohexa-1,3-diene
CID 18696359
6-(Bromomethyl)-5,5-difluorocyclohexa-1,3-diene
CID 18699038
1-Bromo-2-fluorocyclohexa-1,3-diene
CID 19428237
1-Bromo-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22041247
5-Bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene
CID 23056494
2-Bromo-1-fluoro-3-methylcyclohexa-1,3-diene
CID 23139023
1-Bromo-3-fluorobenzyl bromide
CID 67334594
2-Bromo-5-(bromomethyl)-6,6-difluorocyclohexa-1,3-diene
CID 67426993

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene (CID 66969920) is 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene is CC1(Br)C=CC(F)=CC1F.
What is the InChIKey of 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene?
The InChIKey is PFMIGYPVZDWBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2/c1-7(8)3-2-5(9)4-6(7)10/h2-4,6H,1H3.
What are the key properties of 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene?
5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene has a molecular weight of 209.03 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-difluoro-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 66969920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).