2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol

C6H5Br2FO — CID 89226940

IUPAC2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Br)C=C(F)CC1Br
InChIInChI=1S/C6H5Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1,5,10H,2H2
InChIKeyKDIOQFPVNOVCTE-UHFFFAOYSA-N
MW271.91 g/mol
LogP3.17
Rot. Bonds

About 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol

2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol (PubChem CID 89226940) has the molecular formula C6H5Br2FO and a molecular weight of 271.91 g/mol. Its IUPAC name is 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol
PubChem CID89226940
Molecular FormulaC6H5Br2FO
Molecular Weight271.91 g/mol
Exact Mass269.87
IUPAC Name2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Br)C=C(F)CC1Br
InChIInChI=1S/C6H5Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1,5,10H,2H2
InChIKeyKDIOQFPVNOVCTE-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.91
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol 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 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol (CID 89226940) is 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol is OC1=C(Br)C=C(F)CC1Br.
What is the InChIKey of 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol?
The InChIKey is KDIOQFPVNOVCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1,5,10H,2H2.
What are the key properties of 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol?
2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol has a molecular weight of 271.91 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-fluorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89226940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).