2-(tert-butoxy)-4-fluoroaniline

• ChemBase ID: 245165
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1(cc(ccc1N)F)OC(C)(C)C
• Canonical SMILES: CC(Oc1cc(F)ccc1N)(C)C
• InChI: InChI=1S/C10H14FNO/c1-10(2,3)13-9-6-7(11)4-5-8(9)12/h4-6H,12H2,1-3H3
• InChIKey: CDPWSESMTRSJDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butoxy)-4-fluoroaniline
• IUPAC Traditional name: 2-(tert-butoxy)-4-fluoroaniline
• Synonyms: 2-(tert-butoxy)-4-fluoroaniline

Database IDs

• MDL Number: MFCD16744355
• PubChem SID: 164301075
• PubChem CID: 62377669

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1727931
• LogD (pH = 7.4): 2.1831763
• Log P: 2.1833103
• Molar Refractivity: 51.2436 cm^3
• Polarizability: 19.173733 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.776

Product Information

• Purity: 95%