5,6-dibromo-2,5-difluorocyclohexa-1,3-diene

C6H4Br2F2 — CID 67591554

IUPAC5,6-dibromo-2,5-difluorocyclohexa-1,3-diene
SMILESFC1=CC(Br)C(F)(Br)C=C1
InChIInChI=1S/C6H4Br2F2/c7-5-3-4(9)1-2-6(5,8)10/h1-3,5H
InChIKeyUWMUSMGAVWUVJW-UHFFFAOYSA-N
MW273.90 g/mol
LogP3.23
Rot. Bonds

About 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene

5,6-dibromo-2,5-difluorocyclohexa-1,3-diene (PubChem CID 67591554) has the molecular formula C6H4Br2F2 and a molecular weight of 273.90 g/mol. Its IUPAC name is 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dibromo-2,5-difluorocyclohexa-1,3-diene
PubChem CID67591554
Molecular FormulaC6H4Br2F2
Molecular Weight273.90 g/mol
Exact Mass271.86
IUPAC Name5,6-dibromo-2,5-difluorocyclohexa-1,3-diene
SMILESFC1=CC(Br)C(F)(Br)C=C1
InChIInChI=1S/C6H4Br2F2/c7-5-3-4(9)1-2-6(5,8)10/h1-3,5H
InChIKeyUWMUSMGAVWUVJW-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.90
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene (CID 67591554) is 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene is FC1=CC(Br)C(F)(Br)C=C1.
What is the InChIKey of 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene?
The InChIKey is UWMUSMGAVWUVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2F2/c7-5-3-4(9)1-2-6(5,8)10/h1-3,5H.
What are the key properties of 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene?
5,6-dibromo-2,5-difluorocyclohexa-1,3-diene has a molecular weight of 273.90 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-2,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 67591554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).