2,6-dibromo-3,4-difluorophenol

C6H2Br2F2O — CID 84814133

IUPAC2,6-dibromo-3,4-difluorophenol
SMILESOc1c(Br)cc(F)c(F)c1Br
InChIInChI=1S/C6H2Br2F2O/c7-2-1-3(9)5(10)4(8)6(2)11/h1,11H
InChIKeyCKKYYQDQIYNXOY-UHFFFAOYSA-N
MW287.88 g/mol
LogP3.20
Rot. Bonds

About 2,6-dibromo-3,4-difluorophenol

2,6-dibromo-3,4-difluorophenol (PubChem CID 84814133) has the molecular formula C6H2Br2F2O and a molecular weight of 287.88 g/mol. Its IUPAC name is 2,6-dibromo-3,4-difluorophenol.

Molecular Properties

Compound Name2,6-dibromo-3,4-difluorophenol
PubChem CID84814133
Molecular FormulaC6H2Br2F2O
Molecular Weight287.88 g/mol
Exact Mass285.84
IUPAC Name2,6-dibromo-3,4-difluorophenol
SMILESOc1c(Br)cc(F)c(F)c1Br
InChIInChI=1S/C6H2Br2F2O/c7-2-1-3(9)5(10)4(8)6(2)11/h1,11H
InChIKeyCKKYYQDQIYNXOY-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 53.20
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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Related Compounds

2,5-dibromo-3,6-difluorophenol
CID 118990727
1-(2,6-dibromo-3,4-difluorophenyl)ethanone
CID 119010401
4,5-dibromo-3-fluorobenzene-1,2-diol
CID 142181565
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
CID 117420933
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
2-(3-bromo-4,5-difluoro-2-hydroxyphenyl)acetaldehyde
CID 83900436
magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
CID 175033297
1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene
CID 131214209
2-bromo-6-fluorobenzene-1,4-diol
CID 84674762
(2S)-2-amino-2-(5-bromo-2,3-difluoro-6-hydroxyphenyl)acetic acid
CID 66513152
2-[(E)-3-aminoprop-1-enyl]-6-bromo-3,4-difluorophenol
CID 117414280
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3,4-difluorophenol?
The IUPAC name of 2,6-dibromo-3,4-difluorophenol (CID 84814133) is 2,6-dibromo-3,4-difluorophenol.
What is the SMILES notation for 2,6-dibromo-3,4-difluorophenol?
The canonical SMILES for 2,6-dibromo-3,4-difluorophenol is Oc1c(Br)cc(F)c(F)c1Br.
What is the InChIKey of 2,6-dibromo-3,4-difluorophenol?
The InChIKey is CKKYYQDQIYNXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2F2O/c7-2-1-3(9)5(10)4(8)6(2)11/h1,11H.
What are the key properties of 2,6-dibromo-3,4-difluorophenol?
2,6-dibromo-3,4-difluorophenol has a molecular weight of 287.88 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3,4-difluorophenol is sourced from PubChem (CID 84814133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).