2-bromo-1-fluoro-3,5-dimethoxybenzene

C8H8BrFO2 — CID 688225

IUPAC2-bromo-1-fluoro-3,5-dimethoxybenzene
SMILESCOc1cc(F)c(Br)c(OC)c1
InChIInChI=1S/C8H8BrFO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,1-2H3
InChIKeyDGHHLXADLQCVKV-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.61
Rot. Bonds2

About 2-bromo-1-fluoro-3,5-dimethoxybenzene

2-bromo-1-fluoro-3,5-dimethoxybenzene (PubChem CID 688225) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 2-bromo-1-fluoro-3,5-dimethoxybenzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-3,5-dimethoxybenzene
PubChem CID688225
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name2-bromo-1-fluoro-3,5-dimethoxybenzene
SMILESCOc1cc(F)c(Br)c(OC)c1
InChIInChI=1S/C8H8BrFO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,1-2H3
InChIKeyDGHHLXADLQCVKV-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 2-bromo-1-fluoro-3,5-dimethoxybenzene?
The IUPAC name of 2-bromo-1-fluoro-3,5-dimethoxybenzene (CID 688225) is 2-bromo-1-fluoro-3,5-dimethoxybenzene.
What is the SMILES notation for 2-bromo-1-fluoro-3,5-dimethoxybenzene?
The canonical SMILES for 2-bromo-1-fluoro-3,5-dimethoxybenzene is COc1cc(F)c(Br)c(OC)c1.
What is the InChIKey of 2-bromo-1-fluoro-3,5-dimethoxybenzene?
The InChIKey is DGHHLXADLQCVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,1-2H3.
What are the key properties of 2-bromo-1-fluoro-3,5-dimethoxybenzene?
2-bromo-1-fluoro-3,5-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 2-bromo-1-fluoro-3,5-dimethoxybenzene is sourced from PubChem (CID 688225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).