2-bromo-3,4,5,6-tetrafluorophenol

C6HBrF4O — CID 13024657

IUPAC2-bromo-3,4,5,6-tetrafluorophenol
SMILESOc1c(F)c(F)c(F)c(F)c1Br
InChIInChI=1S/C6HBrF4O/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H
InChIKeyBAUAYFAYFRGXOQ-UHFFFAOYSA-N
MW244.97 g/mol
LogP2.71
Rot. Bonds

About 2-bromo-3,4,5,6-tetrafluorophenol

2-bromo-3,4,5,6-tetrafluorophenol (PubChem CID 13024657) has the molecular formula C6HBrF4O and a molecular weight of 244.97 g/mol. Its IUPAC name is 2-bromo-3,4,5,6-tetrafluorophenol.

Molecular Properties

Compound Name2-bromo-3,4,5,6-tetrafluorophenol
PubChem CID13024657
Molecular FormulaC6HBrF4O
Molecular Weight244.97 g/mol
Exact Mass243.91
IUPAC Name2-bromo-3,4,5,6-tetrafluorophenol
SMILESOc1c(F)c(F)c(F)c(F)c1Br
InChIInChI=1S/C6HBrF4O/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H
InChIKeyBAUAYFAYFRGXOQ-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.97
LogP ≤ 52.71
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-bromo-3,4,5,6-tetrafluorophenol?
The IUPAC name of 2-bromo-3,4,5,6-tetrafluorophenol (CID 13024657) is 2-bromo-3,4,5,6-tetrafluorophenol.
What is the SMILES notation for 2-bromo-3,4,5,6-tetrafluorophenol?
The canonical SMILES for 2-bromo-3,4,5,6-tetrafluorophenol is Oc1c(F)c(F)c(F)c(F)c1Br.
What is the InChIKey of 2-bromo-3,4,5,6-tetrafluorophenol?
The InChIKey is BAUAYFAYFRGXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrF4O/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H.
What are the key properties of 2-bromo-3,4,5,6-tetrafluorophenol?
2-bromo-3,4,5,6-tetrafluorophenol has a molecular weight of 244.97 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5,6-tetrafluorophenol is sourced from PubChem (CID 13024657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).