2-bromo-1-fluoro-3-methoxybenzene

C7H6BrFO — CID 2779318

IUPAC2-bromo-1-fluoro-3-methoxybenzene
SMILESCOc1cccc(F)c1Br
InChIInChI=1S/C7H6BrFO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3
InChIKeyRNUBPKHSQXYYCV-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.60
Rot. Bonds1

About 2-bromo-1-fluoro-3-methoxybenzene

2-bromo-1-fluoro-3-methoxybenzene (PubChem CID 2779318) has the molecular formula C7H6BrFO and a molecular weight of 205.03 g/mol. Its IUPAC name is 2-bromo-1-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-3-methoxybenzene
PubChem CID2779318
Molecular FormulaC7H6BrFO
Molecular Weight205.03 g/mol
Exact Mass203.96
IUPAC Name2-bromo-1-fluoro-3-methoxybenzene
SMILESCOc1cccc(F)c1Br
InChIInChI=1S/C7H6BrFO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3
InChIKeyRNUBPKHSQXYYCV-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-3-methoxybenzene?
The IUPAC name of 2-bromo-1-fluoro-3-methoxybenzene (CID 2779318) is 2-bromo-1-fluoro-3-methoxybenzene.
What is the SMILES notation for 2-bromo-1-fluoro-3-methoxybenzene?
The canonical SMILES for 2-bromo-1-fluoro-3-methoxybenzene is COc1cccc(F)c1Br.
What is the InChIKey of 2-bromo-1-fluoro-3-methoxybenzene?
The InChIKey is RNUBPKHSQXYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3.
What are the key properties of 2-bromo-1-fluoro-3-methoxybenzene?
2-bromo-1-fluoro-3-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 2-bromo-1-fluoro-3-methoxybenzene is sourced from PubChem (CID 2779318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).