2-bromo-6-fluorobenzene-1,4-diol

C6H4BrFO2 — CID 84674762

IUPAC2-bromo-6-fluorobenzene-1,4-diol
SMILESOc1cc(F)c(O)c(Br)c1
InChIInChI=1S/C6H4BrFO2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H
InChIKeyCZXUNKNJQPEAQI-UHFFFAOYSA-N
MW207.00 g/mol
LogP2.00
Rot. Bonds

About 2-bromo-6-fluorobenzene-1,4-diol

2-bromo-6-fluorobenzene-1,4-diol (PubChem CID 84674762) has the molecular formula C6H4BrFO2 and a molecular weight of 207.00 g/mol. Its IUPAC name is 2-bromo-6-fluorobenzene-1,4-diol.

Molecular Properties

Compound Name2-bromo-6-fluorobenzene-1,4-diol
PubChem CID84674762
Molecular FormulaC6H4BrFO2
Molecular Weight207.00 g/mol
Exact Mass205.94
IUPAC Name2-bromo-6-fluorobenzene-1,4-diol
SMILESOc1cc(F)c(O)c(Br)c1
InChIInChI=1S/C6H4BrFO2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H
InChIKeyCZXUNKNJQPEAQI-UHFFFAOYSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-fluoro-4-hydroxybenzonitrile
CID 119017796
2-bromo-6-fluoro-4-propylphenol
CID 69428563
4-(2,6-difluoro-4-hydroxyphenyl)-3,5-difluorophenol
CID 22708583
3,4,5-trifluorophenol
CID 2777943
2,6-dibromo-3,4-difluorophenol
CID 84814133
3,5-difluoro-4-sulfanylphenol
CID 45090767
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
2-(3-bromo-2,5-difluoro-6-hydroxyphenyl)-2-oxoacetic acid
CID 117450954
4,5-dibromo-3-fluorobenzene-1,2-diol
CID 142181565
2,5-dibromo-3,6-difluorophenol
CID 118990727
4-bromo-3-ethyl-5-fluorophenol
CID 130749007

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluorobenzene-1,4-diol?
The IUPAC name of 2-bromo-6-fluorobenzene-1,4-diol (CID 84674762) is 2-bromo-6-fluorobenzene-1,4-diol.
What is the SMILES notation for 2-bromo-6-fluorobenzene-1,4-diol?
The canonical SMILES for 2-bromo-6-fluorobenzene-1,4-diol is Oc1cc(F)c(O)c(Br)c1.
What is the InChIKey of 2-bromo-6-fluorobenzene-1,4-diol?
The InChIKey is CZXUNKNJQPEAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFO2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H.
What are the key properties of 2-bromo-6-fluorobenzene-1,4-diol?
2-bromo-6-fluorobenzene-1,4-diol has a molecular weight of 207.00 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluorobenzene-1,4-diol is sourced from PubChem (CID 84674762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).