N-[(3-fluorophenyl)methyl]formamide

• ChemBase ID: 289957
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: O=CNCc1cccc(F)c1
• Canonical SMILES: O=CNCc1cccc(c1)F
• InChI: InChI=1S/C8H8FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4,6H,5H2,(H,10,11)
• InChIKey: KOWSBYDGBOMGAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-fluorophenyl)methyl]formamide
• IUPAC Traditional name: N-[(3-fluorophenyl)methyl]formamide
• Synonyms: N-(3-fluorobenzyl)formamide

Database IDs

• CAS Number: 180207-86-7
• PubChem SID: 180675488
• PubChem CID: 10654422

CALCULATED PROPERTIES

• Acid pKa: 14.6568985
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0118641
• LogD (pH = 7.4): 1.0118641
• Log P: 1.0118641
• Molar Refractivity: 39.7011 cm^3
• Polarizability: 14.904786 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%