[2-fluoro-6-(trifluoromethyl)phenyl]methanamine

• ChemBase ID: 97330
• Molecular Formular: C8H7F4N
• Molecular Mass: 193.1414928
• Monoisotopic Mass: 193.05146211
• SMILES: NCc1c(cccc1C(F)(F)F)F
• Canonical SMILES: NCc1c(F)cccc1C(F)(F)F
• InChI: InChI=1S/C8H7F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H,4,13H2
• InChIKey: FCYVKQRWNQRCFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-6-(trifluoromethyl)phenyl]methanamine
• IUPAC Traditional name: [2-fluoro-6-(trifluoromethyl)phenyl]methanamine
• Synonyms: 2-(Aminomethyl)-3-fluorobenzotrifluoride, [2-Fluoro-6-(trifluoromethyl)phenyl]methylamine; 2-Fluoro-6-(trifluoromethyl)benzylamine 98%; 2-Fluoro-6-(trifluoroMethyl)benzylaMine

Database IDs

• CAS Number: 239087-06-0
• MDL Number: MFCD00061165
• PubChem SID: 162083940
• PubChem CID: 2774790

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.71218836
• LogD (pH = 7.4): 0.7485248
• Log P: 2.1195648
• Molar Refractivity: 40.7215 cm^3
• Polarizability: 14.669693 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Air Sensitive/Store under Argon

Product Information

• Purity: 97%