1-fluoronaphthalene-2-carbaldehyde

• ChemBase ID: 98486
• Molecular Formular: C11H7FO
• Molecular Mass: 174.1710832
• Monoisotopic Mass: 174.04809306
• SMILES: Fc1c(ccc2ccccc12)C=O
• Canonical SMILES: O=Cc1ccc2c(c1F)cccc2
• InChI: InChI=1S/C11H7FO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
• InChIKey: YPWUQMKWNNQMDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoronaphthalene-2-carbaldehyde
• IUPAC Traditional name: 1-fluoronaphthalene-2-carbaldehyde
• Synonyms: 1-Fluoronaphthalene-2-carboxaldehyde; 1-Fluoro-2-formylnaphthalene; 1-Fluoro-2-naphthaldehyde

Database IDs

• CAS Number: 143901-96-6
• PubChem SID: 162084907
• PubChem CID: 15208437

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.817927
• LogD (pH = 7.4): 2.817927
• Log P: 2.817927
• Molar Refractivity: 49.3086 cm^3
• Polarizability: 19.385082 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant