2-fluoro-4-(morpholin-4-yl)benzaldehyde

• ChemBase ID: 69710
• Molecular Formular: C11H12FNO2
• Molecular Mass: 209.2168832
• Monoisotopic Mass: 209.08520685
• SMILES: C(=O)c1c(cc(cc1)N1CCOCC1)F
• Canonical SMILES: O=Cc1ccc(cc1F)N1CCOCC1
• InChI: InChI=1S/C11H12FNO2/c12-11-7-10(2-1-9(11)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
• InChIKey: UEKCASSBRLOEDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-(morpholin-4-yl)benzaldehyde
• IUPAC Traditional name: 2-fluoro-4-(morpholin-4-yl)benzaldehyde
• Synonyms: 2-Fluoro-4-morpholin-4-ylbenzaldehyde

Database IDs

• CAS Number: 554448-63-4
• MDL Number: MFCD06656556
• PubChem SID: 162035435
• PubChem CID: 7148609

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7179935
• LogD (pH = 7.4): 1.7179935
• Log P: 1.7179935
• Molar Refractivity: 56.3615 cm^3
• Polarizability: 20.401693 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%