1-[bromobis(4-fluorophenyl)methyl]-4-fluorobenzene

• ChemBase ID: 7743
• Molecular Formular: C19H12BrF3
• Molecular Mass: 377.1977896
• Monoisotopic Mass: 376.00744704
• SMILES: c1(C(Br)(c2ccc(cc2)F)c2ccc(cc2)F)ccc(cc1)F
• Canonical SMILES: BrC(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F
• InChI: InChI=1S/C19H12BrF3/c20-19(13-1-7-16(21)8-2-13,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H
• InChIKey: DYMCGODRYMABQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[bromobis(4-fluorophenyl)methyl]-4-fluorobenzene
• IUPAC Traditional name: 1-[bromobis(4-fluorophenyl)methyl]-4-fluorobenzene
• Synonyms: 4,4',4''-Trifluorotrityl bromide

Database IDs

• CAS Number: 200004-38-2
• MDL Number: MFCD00191586
• PubChem SID: 160971050
• PubChem CID: 626724

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.606571
• LogD (pH = 7.4): 6.606571
• Log P: 6.606571
• Molar Refractivity: 89.9952 cm^3
• Polarizability: 33.079433 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false