(2,3,4,5-tetrafluorophenyl)methanamine

• ChemBase ID: 93240
• Molecular Formular: C7H5F4N
• Molecular Mass: 179.1149128
• Monoisotopic Mass: 179.03581205
• SMILES: NCc1c(c(c(c(c1)F)F)F)F
• Canonical SMILES: NCc1cc(F)c(c(c1F)F)F
• InChI: InChI=1S/C7H5F4N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H,2,12H2
• InChIKey: HHYMPXUXPDPZGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,4,5-tetrafluorophenyl)methanamine
• IUPAC Traditional name: (2,3,4,5-tetrafluorophenyl)methanamine
• Synonyms: 2,3,4,5-Tetrafluorobenzylamine

Database IDs

• MDL Number: MFCD01631456
• PubChem SID: 162079925
• PubChem CID: 2776603

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.131567
• LogD (pH = 7.4): 0.37126026
• Log P: 1.669822
• Molar Refractivity: 35.397 cm^3
• Polarizability: 12.815138 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive