1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane

• ChemBase ID: 12099
• Molecular Formular: C24H33F17
• Molecular Mass: 644.4916744
• Monoisotopic Mass: 644.2310808
• SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(CCCCCCCCCCCCCCCC)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: CCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C24H33F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h2-16H2,1H3
• InChIKey: FTECWCULPOFDJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane
• Synonyms: 1-(Perfluoro-n-octyl)hexadecane

Database IDs

• CAS Number: 117146-18-6
• MDL Number: MFCD04038347
• PubChem SID: 160975406
• PubChem CID: 2782212

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.90571
• LogD (pH = 7.4): 12.90571
• Log P: 12.90571
• Molar Refractivity: 113.8921 cm^3
• Polarizability: 42.565548 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false