1-bromo-4-fluoro-2,3-dimethoxybenzene

C8H8BrFO2 — CID 58420229

IUPAC1-bromo-4-fluoro-2,3-dimethoxybenzene
SMILESCOc1c(F)ccc(Br)c1OC
InChIInChI=1S/C8H8BrFO2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3
InChIKeyXPGWYBFHCGAIRS-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.61
Rot. Bonds2

About 1-bromo-4-fluoro-2,3-dimethoxybenzene

1-bromo-4-fluoro-2,3-dimethoxybenzene (PubChem CID 58420229) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2,3-dimethoxybenzene
PubChem CID58420229
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name1-bromo-4-fluoro-2,3-dimethoxybenzene
SMILESCOc1c(F)ccc(Br)c1OC
InChIInChI=1S/C8H8BrFO2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3
InChIKeyXPGWYBFHCGAIRS-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2,3-dimethoxybenzene?
The IUPAC name of 1-bromo-4-fluoro-2,3-dimethoxybenzene (CID 58420229) is 1-bromo-4-fluoro-2,3-dimethoxybenzene.
What is the SMILES notation for 1-bromo-4-fluoro-2,3-dimethoxybenzene?
The canonical SMILES for 1-bromo-4-fluoro-2,3-dimethoxybenzene is COc1c(F)ccc(Br)c1OC.
What is the InChIKey of 1-bromo-4-fluoro-2,3-dimethoxybenzene?
The InChIKey is XPGWYBFHCGAIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3.
What are the key properties of 1-bromo-4-fluoro-2,3-dimethoxybenzene?
1-bromo-4-fluoro-2,3-dimethoxybenzene has a molecular weight of 235.05 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2,3-dimethoxybenzene is sourced from PubChem (CID 58420229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).