4,5-dibromo-2-fluorophenol

C6H3Br2FO — CID 53417592

IUPAC4,5-dibromo-2-fluorophenol
SMILESOc1cc(Br)c(Br)cc1F
InChIInChI=1S/C6H3Br2FO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKeyICSZBSDJUJFNOG-UHFFFAOYSA-N
MW269.89 g/mol
LogP3.06
Rot. Bonds

About 4,5-dibromo-2-fluorophenol

4,5-dibromo-2-fluorophenol (PubChem CID 53417592) has the molecular formula C6H3Br2FO and a molecular weight of 269.89 g/mol. Its IUPAC name is 4,5-dibromo-2-fluorophenol.

Molecular Properties

Compound Name4,5-dibromo-2-fluorophenol
PubChem CID53417592
Molecular FormulaC6H3Br2FO
Molecular Weight269.89 g/mol
Exact Mass267.85
IUPAC Name4,5-dibromo-2-fluorophenol
SMILESOc1cc(Br)c(Br)cc1F
InChIInChI=1S/C6H3Br2FO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKeyICSZBSDJUJFNOG-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.89
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-fluorophenol?
The IUPAC name of 4,5-dibromo-2-fluorophenol (CID 53417592) is 4,5-dibromo-2-fluorophenol.
What is the SMILES notation for 4,5-dibromo-2-fluorophenol?
The canonical SMILES for 4,5-dibromo-2-fluorophenol is Oc1cc(Br)c(Br)cc1F.
What is the InChIKey of 4,5-dibromo-2-fluorophenol?
The InChIKey is ICSZBSDJUJFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2FO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H.
What are the key properties of 4,5-dibromo-2-fluorophenol?
4,5-dibromo-2-fluorophenol has a molecular weight of 269.89 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-fluorophenol is sourced from PubChem (CID 53417592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).