2,4,6-tribromo-3-fluorophenol

C6H2Br3FO — CID 15265191

IUPAC2,4,6-tribromo-3-fluorophenol
SMILESOc1c(Br)cc(Br)c(F)c1Br
InChIInChI=1S/C6H2Br3FO/c7-2-1-3(8)6(11)4(9)5(2)10/h1,11H
InChIKeyPNUGGZLPGVBSFN-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.82
Rot. Bonds

About 2,4,6-tribromo-3-fluorophenol

2,4,6-tribromo-3-fluorophenol (PubChem CID 15265191) has the molecular formula C6H2Br3FO and a molecular weight of 348.79 g/mol. Its IUPAC name is 2,4,6-tribromo-3-fluorophenol.

Molecular Properties

Compound Name2,4,6-tribromo-3-fluorophenol
PubChem CID15265191
Molecular FormulaC6H2Br3FO
Molecular Weight348.79 g/mol
Exact Mass345.76
IUPAC Name2,4,6-tribromo-3-fluorophenol
SMILESOc1c(Br)cc(Br)c(F)c1Br
InChIInChI=1S/C6H2Br3FO/c7-2-1-3(8)6(11)4(9)5(2)10/h1,11H
InChIKeyPNUGGZLPGVBSFN-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-fluorophenol?
The IUPAC name of 2,4,6-tribromo-3-fluorophenol (CID 15265191) is 2,4,6-tribromo-3-fluorophenol.
What is the SMILES notation for 2,4,6-tribromo-3-fluorophenol?
The canonical SMILES for 2,4,6-tribromo-3-fluorophenol is Oc1c(Br)cc(Br)c(F)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-fluorophenol?
The InChIKey is PNUGGZLPGVBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br3FO/c7-2-1-3(8)6(11)4(9)5(2)10/h1,11H.
What are the key properties of 2,4,6-tribromo-3-fluorophenol?
2,4,6-tribromo-3-fluorophenol has a molecular weight of 348.79 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-fluorophenol is sourced from PubChem (CID 15265191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).