2-bromo-6-chloro-3,4-difluorophenol

C6H2BrClF2O — CID 84704004

IUPAC2-bromo-6-chloro-3,4-difluorophenol
SMILESOc1c(Cl)cc(F)c(F)c1Br
InChIInChI=1S/C6H2BrClF2O/c7-4-5(10)3(9)1-2(8)6(4)11/h1,11H
InChIKeyTWFKZHJHAFTQHX-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.09
Rot. Bonds

About 2-bromo-6-chloro-3,4-difluorophenol

2-bromo-6-chloro-3,4-difluorophenol (PubChem CID 84704004) has the molecular formula C6H2BrClF2O and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-bromo-6-chloro-3,4-difluorophenol.

Molecular Properties

Compound Name2-bromo-6-chloro-3,4-difluorophenol
PubChem CID84704004
Molecular FormulaC6H2BrClF2O
Molecular Weight243.43 g/mol
Exact Mass241.89
IUPAC Name2-bromo-6-chloro-3,4-difluorophenol
SMILESOc1c(Cl)cc(F)c(F)c1Br
InChIInChI=1S/C6H2BrClF2O/c7-4-5(10)3(9)1-2(8)6(4)11/h1,11H
InChIKeyTWFKZHJHAFTQHX-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3,4-difluorophenol?
The IUPAC name of 2-bromo-6-chloro-3,4-difluorophenol (CID 84704004) is 2-bromo-6-chloro-3,4-difluorophenol.
What is the SMILES notation for 2-bromo-6-chloro-3,4-difluorophenol?
The canonical SMILES for 2-bromo-6-chloro-3,4-difluorophenol is Oc1c(Cl)cc(F)c(F)c1Br.
What is the InChIKey of 2-bromo-6-chloro-3,4-difluorophenol?
The InChIKey is TWFKZHJHAFTQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2O/c7-4-5(10)3(9)1-2(8)6(4)11/h1,11H.
What are the key properties of 2-bromo-6-chloro-3,4-difluorophenol?
2-bromo-6-chloro-3,4-difluorophenol has a molecular weight of 243.43 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-3,4-difluorophenol is sourced from PubChem (CID 84704004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).