1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-iodooctane

• ChemBase ID: 11998
• Molecular Formular: C8H2F15I
• Molecular Mass: 509.981998
• Monoisotopic Mass: 509.89617136
• SMILES: C(I)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H2F15I/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H2
• InChIKey: CVJNJHVXFLKZGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-iodooctane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-iodooctane
• Synonyms: 1-Iodo-1H,1H-perfluorooctane; 1-Iodo-1H,1H-perfluorooctane 97%

Database IDs

• CAS Number: 10258-49-8
• MDL Number: MFCD04038315
• PubChem SID: 160975305
• PubChem CID: 2782381

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.2261314
• LogD (pH = 7.4): 6.2261314
• Log P: 6.2261314
• Molar Refractivity: 53.267 cm^3
• Polarizability: 21.237328 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 60°C/24mm
• Flash Point: none°C

Safety Information

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

Product Information

• Purity: 97%