2-bromo-4-chloro-3-fluorophenol

C6H3BrClFO — CID 84690061

IUPAC2-bromo-4-chloro-3-fluorophenol
SMILESOc1ccc(Cl)c(F)c1Br
InChIInChI=1S/C6H3BrClFO/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H
InChIKeyVTDICNGNPIPTJC-UHFFFAOYSA-N
MW225.44 g/mol
LogP2.95
Rot. Bonds

About 2-bromo-4-chloro-3-fluorophenol

2-bromo-4-chloro-3-fluorophenol (PubChem CID 84690061) has the molecular formula C6H3BrClFO and a molecular weight of 225.44 g/mol. Its IUPAC name is 2-bromo-4-chloro-3-fluorophenol.

Molecular Properties

Compound Name2-bromo-4-chloro-3-fluorophenol
PubChem CID84690061
Molecular FormulaC6H3BrClFO
Molecular Weight225.44 g/mol
Exact Mass223.90
IUPAC Name2-bromo-4-chloro-3-fluorophenol
SMILESOc1ccc(Cl)c(F)c1Br
InChIInChI=1S/C6H3BrClFO/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H
InChIKeyVTDICNGNPIPTJC-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-3-fluorophenol?
The IUPAC name of 2-bromo-4-chloro-3-fluorophenol (CID 84690061) is 2-bromo-4-chloro-3-fluorophenol.
What is the SMILES notation for 2-bromo-4-chloro-3-fluorophenol?
The canonical SMILES for 2-bromo-4-chloro-3-fluorophenol is Oc1ccc(Cl)c(F)c1Br.
What is the InChIKey of 2-bromo-4-chloro-3-fluorophenol?
The InChIKey is VTDICNGNPIPTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClFO/c7-5-4(10)2-1-3(8)6(5)9/h1-2,10H.
What are the key properties of 2-bromo-4-chloro-3-fluorophenol?
2-bromo-4-chloro-3-fluorophenol has a molecular weight of 225.44 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-3-fluorophenol is sourced from PubChem (CID 84690061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).