methyl[(3,4,5-trifluorophenyl)methyl]amine

• ChemBase ID: 247506
• Molecular Formular: C8H8F3N
• Molecular Mass: 175.1510296
• Monoisotopic Mass: 175.06088392
• SMILES: c1(c(cc(cc1F)CNC)F)F
• Canonical SMILES: CNCc1cc(F)c(c(c1)F)F
• InChI: InChI=1S/C8H8F3N/c1-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,12H,4H2,1H3
• InChIKey: FTKFLJLKMQIDRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(3,4,5-trifluorophenyl)methyl]amine
• IUPAC Traditional name: methyl[(3,4,5-trifluorophenyl)methyl]amine
• Synonyms: methyl[(3,4,5-trifluorophenyl)methyl]amine

Database IDs

• MDL Number: MFCD17284527
• PubChem SID: 164303416
• PubChem CID: 63051172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0817353
• LogD (pH = 7.4): 0.38448572
• Log P: 1.9597005
• Molar Refractivity: 39.9552 cm^3
• Polarizability: 14.702275 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.799

Product Information

• Purity: 95%