6-bromo-1-fluoro-2-methoxynaphthalene

C11H8BrFO — CID 11219025

IUPAC6-bromo-1-fluoro-2-methoxynaphthalene
SMILESCOc1ccc2cc(Br)ccc2c1F
InChIInChI=1S/C11H8BrFO/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,1H3
InChIKeyYTBNKDJLWPGCAJ-UHFFFAOYSA-N
MW255.09 g/mol
LogP3.75
Rot. Bonds1

About 6-bromo-1-fluoro-2-methoxynaphthalene

6-bromo-1-fluoro-2-methoxynaphthalene (PubChem CID 11219025) has the molecular formula C11H8BrFO and a molecular weight of 255.09 g/mol. Its IUPAC name is 6-bromo-1-fluoro-2-methoxynaphthalene.

Molecular Properties

Compound Name6-bromo-1-fluoro-2-methoxynaphthalene
PubChem CID11219025
Molecular FormulaC11H8BrFO
Molecular Weight255.09 g/mol
Exact Mass253.97
IUPAC Name6-bromo-1-fluoro-2-methoxynaphthalene
SMILESCOc1ccc2cc(Br)ccc2c1F
InChIInChI=1S/C11H8BrFO/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,1H3
InChIKeyYTBNKDJLWPGCAJ-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-fluoro-2-methoxynaphthalene?
The IUPAC name of 6-bromo-1-fluoro-2-methoxynaphthalene (CID 11219025) is 6-bromo-1-fluoro-2-methoxynaphthalene.
What is the SMILES notation for 6-bromo-1-fluoro-2-methoxynaphthalene?
The canonical SMILES for 6-bromo-1-fluoro-2-methoxynaphthalene is COc1ccc2cc(Br)ccc2c1F.
What is the InChIKey of 6-bromo-1-fluoro-2-methoxynaphthalene?
The InChIKey is YTBNKDJLWPGCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,1H3.
What are the key properties of 6-bromo-1-fluoro-2-methoxynaphthalene?
6-bromo-1-fluoro-2-methoxynaphthalene has a molecular weight of 255.09 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-fluoro-2-methoxynaphthalene is sourced from PubChem (CID 11219025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).