tris(tridecafluorohexyl)amine

• ChemBase ID: 98849
• Molecular Formular: C18F39N
• Molecular Mass: 971.1370248
• Monoisotopic Mass: 970.94079959
• SMILES: N(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(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)(N(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C18F39N/c19-1(20,7(31,32)13(43,44)45)4(25,26)10(37,38)16(52,53)58(17(54,55)11(39,40)5(27,28)2(21,22)8(33,34)14(46,47)48)18(56,57)12(41,42)6(29,30)3(23,24)9(35,36)15(49,50)51
• InChIKey: HDCGZKPLSIIZAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(tridecafluorohexyl)amine
• IUPAC Traditional name: tris(tridecafluorohexyl)amine
• Synonyms: Tris(tridecafluorohex-1-yl)amine; Tris(perfluorohex-1-yl)amine, tech

Database IDs

• CAS Number: 432-08-6
• MDL Number: MFCD00042590
• PubChem SID: 162085201
• PubChem CID: 79010

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 14.0075865
• LogD (pH = 7.4): 14.0075865
• Log P: 14.0075865
• Molar Refractivity: 94.0497 cm^3
• Polarizability: 37.013268 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 250-260°C
• Flash Point: none°C

Safety Information

• Storage Warning: Corrosive/Keep Cold