2,3,4-tribromo-5,6-difluorophenol

C6HBr3F2O — CID 86243413

IUPAC2,3,4-tribromo-5,6-difluorophenol
SMILESOc1c(F)c(F)c(Br)c(Br)c1Br
InChIInChI=1S/C6HBr3F2O/c7-1-2(8)4(10)5(11)6(12)3(1)9/h12H
InChIKeyFRLIVDUOAVDWGE-UHFFFAOYSA-N
MW366.78 g/mol
LogP3.96
Rot. Bonds

About 2,3,4-tribromo-5,6-difluorophenol

2,3,4-tribromo-5,6-difluorophenol (PubChem CID 86243413) has the molecular formula C6HBr3F2O and a molecular weight of 366.78 g/mol. Its IUPAC name is 2,3,4-tribromo-5,6-difluorophenol.

Molecular Properties

Compound Name2,3,4-tribromo-5,6-difluorophenol
PubChem CID86243413
Molecular FormulaC6HBr3F2O
Molecular Weight366.78 g/mol
Exact Mass363.75
IUPAC Name2,3,4-tribromo-5,6-difluorophenol
SMILESOc1c(F)c(F)c(Br)c(Br)c1Br
InChIInChI=1S/C6HBr3F2O/c7-1-2(8)4(10)5(11)6(12)3(1)9/h12H
InChIKeyFRLIVDUOAVDWGE-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 53.96
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 2,3,4-tribromo-5,6-difluorophenol?
The IUPAC name of 2,3,4-tribromo-5,6-difluorophenol (CID 86243413) is 2,3,4-tribromo-5,6-difluorophenol.
What is the SMILES notation for 2,3,4-tribromo-5,6-difluorophenol?
The canonical SMILES for 2,3,4-tribromo-5,6-difluorophenol is Oc1c(F)c(F)c(Br)c(Br)c1Br.
What is the InChIKey of 2,3,4-tribromo-5,6-difluorophenol?
The InChIKey is FRLIVDUOAVDWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr3F2O/c7-1-2(8)4(10)5(11)6(12)3(1)9/h12H.
What are the key properties of 2,3,4-tribromo-5,6-difluorophenol?
2,3,4-tribromo-5,6-difluorophenol has a molecular weight of 366.78 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribromo-5,6-difluorophenol is sourced from PubChem (CID 86243413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).