1-(bromomethyl)-4-fluoronaphthalene

C11H8BrF — CID 12749148

IUPAC1-(bromomethyl)-4-fluoronaphthalene
SMILESFc1ccc(CBr)c2ccccc12
InChIInChI=1S/C11H8BrF/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKeyPNTIVILDAFJORJ-UHFFFAOYSA-N
MW239.09 g/mol
LogP3.87
Rot. Bonds1

About 1-(bromomethyl)-4-fluoronaphthalene

1-(bromomethyl)-4-fluoronaphthalene (PubChem CID 12749148) has the molecular formula C11H8BrF and a molecular weight of 239.09 g/mol. Its IUPAC name is 1-(bromomethyl)-4-fluoronaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-4-fluoronaphthalene
PubChem CID12749148
Molecular FormulaC11H8BrF
Molecular Weight239.09 g/mol
Exact Mass237.98
IUPAC Name1-(bromomethyl)-4-fluoronaphthalene
SMILESFc1ccc(CBr)c2ccccc12
InChIInChI=1S/C11H8BrF/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKeyPNTIVILDAFJORJ-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 1-(bromomethyl)-4-fluoronaphthalene?
The IUPAC name of 1-(bromomethyl)-4-fluoronaphthalene (CID 12749148) is 1-(bromomethyl)-4-fluoronaphthalene.
What is the SMILES notation for 1-(bromomethyl)-4-fluoronaphthalene?
The canonical SMILES for 1-(bromomethyl)-4-fluoronaphthalene is Fc1ccc(CBr)c2ccccc12.
What is the InChIKey of 1-(bromomethyl)-4-fluoronaphthalene?
The InChIKey is PNTIVILDAFJORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,7H2.
What are the key properties of 1-(bromomethyl)-4-fluoronaphthalene?
1-(bromomethyl)-4-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 1-(bromomethyl)-4-fluoronaphthalene is sourced from PubChem (CID 12749148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).