4-(diethylamino)-3-fluorobenzaldehyde

• ChemBase ID: 277971
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: c1(c(cc(C=O)cc1)F)N(CC)CC
• Canonical SMILES: CCN(c1ccc(cc1F)C=O)CC
• InChI: InChI=1S/C11H14FNO/c1-3-13(4-2)11-6-5-9(8-14)7-10(11)12/h5-8H,3-4H2,1-2H3
• InChIKey: ZHHVPRUEBWLGCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11156348
• PubChem SID: 164333881
• PubChem CID: 21707796

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6501062
• LogD (pH = 7.4): 2.6501098
• Log P: 2.6501098
• Molar Refractivity: 56.7842 cm^3
• Polarizability: 20.389324 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.312

Product Information

• Purity: 95%