tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl

• ChemBase ID: 93117
• Molecular Formular: C24H12F39Sn
• Molecular Mass: 1159.9908048
• Monoisotopic Mass: 1160.93381996
• SMILES: FC(F)(F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/3C8H4F13.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h3*1-2H2
• InChIKey: XWZMMYXGLVKSEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl
• IUPAC Traditional name: tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl
• Synonyms: PTFH; Curran-Hadida reagent; Tris(1H,1H,2H,2H-perfluorooctyl)tin hydride

Database IDs

• MDL Number: MFCD00800579
• PubChem SID: 162079802
• PubChem CID: 9963554

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 16.0753
• LogD (pH = 7.4): 16.0753
• Log P: 16.0753
• Molar Refractivity: 116.5206 cm^3
• Polarizability: 50.592617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC0208

S.Hadida, J.Amer.Chem.Soc., 118, 2531 (1996)