4-bromo-2-fluorophenol

C6H4BrFO — CID 2724981

IUPAC4-bromo-2-fluorophenol
SMILESOc1ccc(Br)cc1F
InChIInChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyRYVOZMPTISNBDB-UHFFFAOYSA-N
MW191.00 g/mol
LogP2.29
Rot. Bonds

About 4-bromo-2-fluorophenol

4-bromo-2-fluorophenol (PubChem CID 2724981) has the molecular formula C6H4BrFO and a molecular weight of 191.00 g/mol. Its IUPAC name is 4-bromo-2-fluorophenol.

Molecular Properties

Compound Name4-bromo-2-fluorophenol
PubChem CID2724981
Molecular FormulaC6H4BrFO
Molecular Weight191.00 g/mol
Exact Mass189.94
IUPAC Name4-bromo-2-fluorophenol
SMILESOc1ccc(Br)cc1F
InChIInChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyRYVOZMPTISNBDB-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluorophenol?
The IUPAC name of 4-bromo-2-fluorophenol (CID 2724981) is 4-bromo-2-fluorophenol.
What is the SMILES notation for 4-bromo-2-fluorophenol?
The canonical SMILES for 4-bromo-2-fluorophenol is Oc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluorophenol?
The InChIKey is RYVOZMPTISNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H.
What are the key properties of 4-bromo-2-fluorophenol?
4-bromo-2-fluorophenol has a molecular weight of 191.00 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluorophenol is sourced from PubChem (CID 2724981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).