1-fluoro-2-methoxynaphthalene

C11H9FO — CID 12656105

IUPAC1-fluoro-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1F
InChIInChI=1S/C11H9FO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChIKeyONBYSQLVBBIBFR-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.99
Rot. Bonds1

About 1-fluoro-2-methoxynaphthalene

1-fluoro-2-methoxynaphthalene (PubChem CID 12656105) has the molecular formula C11H9FO and a molecular weight of 176.19 g/mol. Its IUPAC name is 1-fluoro-2-methoxynaphthalene.

Molecular Properties

Compound Name1-fluoro-2-methoxynaphthalene
PubChem CID12656105
Molecular FormulaC11H9FO
Molecular Weight176.19 g/mol
Exact Mass176.06
IUPAC Name1-fluoro-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1F
InChIInChI=1S/C11H9FO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChIKeyONBYSQLVBBIBFR-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxynaphthalene?
The IUPAC name of 1-fluoro-2-methoxynaphthalene (CID 12656105) is 1-fluoro-2-methoxynaphthalene.
What is the SMILES notation for 1-fluoro-2-methoxynaphthalene?
The canonical SMILES for 1-fluoro-2-methoxynaphthalene is COc1ccc2ccccc2c1F.
What is the InChIKey of 1-fluoro-2-methoxynaphthalene?
The InChIKey is ONBYSQLVBBIBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3.
What are the key properties of 1-fluoro-2-methoxynaphthalene?
1-fluoro-2-methoxynaphthalene has a molecular weight of 176.19 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxynaphthalene is sourced from PubChem (CID 12656105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).