tert-butyl N-(2-fluorophenyl)carbamate

• ChemBase ID: 796300
• Molecular Formular: C11H14FNO2
• Molecular Mass: 211.2327632
• Monoisotopic Mass: 211.10085691
• SMILES: N(C(=O)OC(C)(C)C)c1c(cccc1)F
• Canonical SMILES: O=C(OC(C)(C)C)Nc1ccccc1F
• InChI: InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
• InChIKey: AUHNQFOFWVWFTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-fluorophenyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-fluorophenyl)carbamate
• Synonyms: tert-Butyl (2-fluorophenyl)carbaMate

Database IDs

• CAS Number: 98968-72-0

CALCULATED PROPERTIES

• Acid pKa: 11.969951
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0269089
• LogD (pH = 7.4): 3.026898
• Log P: 3.0269089
• Molar Refractivity: 56.5666 cm^3
• Polarizability: 21.116983 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%