benzyl(1-fluoro-2-methylbutan-2-yl)amine

• ChemBase ID: 278820
• Molecular Formular: C12H18FN
• Molecular Mass: 195.2764232
• Monoisotopic Mass: 195.1423278
• SMILES: N(C(CF)(CC)C)Cc1ccccc1
• Canonical SMILES: CCC(NCc1ccccc1)(CF)C
• InChI: InChI=1S/C12H18FN/c1-3-12(2,10-13)14-9-11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3
• InChIKey: LBIWDUYUFMNKKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(1-fluoro-2-methylbutan-2-yl)amine
• IUPAC Traditional name: benzyl(1-fluoro-2-methylbutan-2-yl)amine
• Synonyms: benzyl(1-fluoro-2-methylbutan-2-yl)amine

Database IDs

• MDL Number: MFCD20233530
• PubChem SID: 164334730
• PubChem CID: 54595004

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.09674382
• LogD (pH = 7.4): 1.7439916
• Log P: 2.9522586
• Molar Refractivity: 57.4872 cm^3
• Polarizability: 22.58184 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.999

Product Information

• Purity: 95%