4-(dimethylamino)-3-fluorobenzaldehyde

• ChemBase ID: 269363
• Molecular Formular: C9H10FNO
• Molecular Mass: 167.1802032
• Monoisotopic Mass: 167.07464217
• SMILES: c1(c(cc(C=O)cc1)F)N(C)C
• Canonical SMILES: O=Cc1ccc(c(c1)F)N(C)C
• InChI: InChI=1S/C9H10FNO/c1-11(2)9-4-3-7(6-12)5-8(9)10/h3-6H,1-2H3
• InChIKey: FXAPINLZEXGHEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylamino)-3-fluorobenzaldehyde
• IUPAC Traditional name: 4-(dimethylamino)-3-fluorobenzaldehyde
• Synonyms: 4-(dimethylamino)-3-fluorobenzaldehyde

Database IDs

• MDL Number: MFCD11156408
• PubChem SID: 164325273
• PubChem CID: 28603781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9364934
• LogD (pH = 7.4): 1.936494
• Log P: 1.936494
• Molar Refractivity: 47.287 cm^3
• Polarizability: 16.72242 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.254

Product Information

• Purity: 95%