2-(bromomethyl)-7-fluoronaphthalene

C11H8BrF — CID 23292295

IUPAC2-(bromomethyl)-7-fluoronaphthalene
SMILESFc1ccc2ccc(CBr)cc2c1
InChIInChI=1S/C11H8BrF/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h1-6H,7H2
InChIKeyXLDDEDRHNNWHEQ-UHFFFAOYSA-N
MW239.09 g/mol
LogP3.87
Rot. Bonds1

About 2-(bromomethyl)-7-fluoronaphthalene

2-(bromomethyl)-7-fluoronaphthalene (PubChem CID 23292295) has the molecular formula C11H8BrF and a molecular weight of 239.09 g/mol. Its IUPAC name is 2-(bromomethyl)-7-fluoronaphthalene.

Molecular Properties

Compound Name2-(bromomethyl)-7-fluoronaphthalene
PubChem CID23292295
Molecular FormulaC11H8BrF
Molecular Weight239.09 g/mol
Exact Mass237.98
IUPAC Name2-(bromomethyl)-7-fluoronaphthalene
SMILESFc1ccc2ccc(CBr)cc2c1
InChIInChI=1S/C11H8BrF/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h1-6H,7H2
InChIKeyXLDDEDRHNNWHEQ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.09
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-7-fluoronaphthalene?
The IUPAC name of 2-(bromomethyl)-7-fluoronaphthalene (CID 23292295) is 2-(bromomethyl)-7-fluoronaphthalene.
What is the SMILES notation for 2-(bromomethyl)-7-fluoronaphthalene?
The canonical SMILES for 2-(bromomethyl)-7-fluoronaphthalene is Fc1ccc2ccc(CBr)cc2c1.
What is the InChIKey of 2-(bromomethyl)-7-fluoronaphthalene?
The InChIKey is XLDDEDRHNNWHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h1-6H,7H2.
What are the key properties of 2-(bromomethyl)-7-fluoronaphthalene?
2-(bromomethyl)-7-fluoronaphthalene has a molecular weight of 239.09 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-fluoronaphthalene is sourced from PubChem (CID 23292295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).