2,4-dibromo-6-fluorophenol

C6H3Br2FO — CID 2773980

IUPAC2,4-dibromo-6-fluorophenol
SMILESOc1c(F)cc(Br)cc1Br
InChIInChI=1S/C6H3Br2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyXJDJZAUITWTZAS-UHFFFAOYSA-N
MW269.89 g/mol
LogP3.06
Rot. Bonds

About 2,4-dibromo-6-fluorophenol

2,4-dibromo-6-fluorophenol (PubChem CID 2773980) has the molecular formula C6H3Br2FO and a molecular weight of 269.89 g/mol. Its IUPAC name is 2,4-dibromo-6-fluorophenol.

Molecular Properties

Compound Name2,4-dibromo-6-fluorophenol
PubChem CID2773980
Molecular FormulaC6H3Br2FO
Molecular Weight269.89 g/mol
Exact Mass267.85
IUPAC Name2,4-dibromo-6-fluorophenol
SMILESOc1c(F)cc(Br)cc1Br
InChIInChI=1S/C6H3Br2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyXJDJZAUITWTZAS-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.89
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-fluorophenol?
The IUPAC name of 2,4-dibromo-6-fluorophenol (CID 2773980) is 2,4-dibromo-6-fluorophenol.
What is the SMILES notation for 2,4-dibromo-6-fluorophenol?
The canonical SMILES for 2,4-dibromo-6-fluorophenol is Oc1c(F)cc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-6-fluorophenol?
The InChIKey is XJDJZAUITWTZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H.
What are the key properties of 2,4-dibromo-6-fluorophenol?
2,4-dibromo-6-fluorophenol has a molecular weight of 269.89 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-fluorophenol is sourced from PubChem (CID 2773980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).