N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]formamide

• ChemBase ID: 98483
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: O=CNC(Cc1ccc(cc1)F)(C)C
• Canonical SMILES: O=CNC(Cc1ccc(cc1)F)(C)C
• InChI: InChI=1S/C11H14FNO/c1-11(2,13-8-14)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
• InChIKey: GDEDYHLMZWVVBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]formamide
• IUPAC Traditional name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]formamide
• Synonyms: N-[1-(4-Fluorophenyl)-2-methylpropan-2-yl]formamide; N-[2-(4-Fluorophenyl)-1,1-dimethylethyl]formamide

Database IDs

• CAS Number: 21328-16-5
• PubChem SID: 162084904
• PubChem CID: 14974987

CALCULATED PROPERTIES

• Acid pKa: 15.076496
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9976764
• LogD (pH = 7.4): 1.997677
• Log P: 1.997677
• Molar Refractivity: 53.5131 cm^3
• Polarizability: 20.40375 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant