1-bromo-3-fluoro-5-methoxybenzene

C7H6BrFO — CID 10822094

IUPAC1-bromo-3-fluoro-5-methoxybenzene
SMILESCOc1cc(F)cc(Br)c1
InChIInChI=1S/C7H6BrFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKeyXVNQVSGOIUYOPB-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.60
Rot. Bonds1

About 1-bromo-3-fluoro-5-methoxybenzene

1-bromo-3-fluoro-5-methoxybenzene (PubChem CID 10822094) has the molecular formula C7H6BrFO and a molecular weight of 205.03 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-5-methoxybenzene
PubChem CID10822094
Molecular FormulaC7H6BrFO
Molecular Weight205.03 g/mol
Exact Mass203.96
IUPAC Name1-bromo-3-fluoro-5-methoxybenzene
SMILESCOc1cc(F)cc(Br)c1
InChIInChI=1S/C7H6BrFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKeyXVNQVSGOIUYOPB-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-3-fluoro-5-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-methoxybenzene?
The IUPAC name of 1-bromo-3-fluoro-5-methoxybenzene (CID 10822094) is 1-bromo-3-fluoro-5-methoxybenzene.
What is the SMILES notation for 1-bromo-3-fluoro-5-methoxybenzene?
The canonical SMILES for 1-bromo-3-fluoro-5-methoxybenzene is COc1cc(F)cc(Br)c1.
What is the InChIKey of 1-bromo-3-fluoro-5-methoxybenzene?
The InChIKey is XVNQVSGOIUYOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3.
What are the key properties of 1-bromo-3-fluoro-5-methoxybenzene?
1-bromo-3-fluoro-5-methoxybenzene has a molecular weight of 205.03 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-5-methoxybenzene is sourced from PubChem (CID 10822094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).