1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane

• ChemBase ID: 97593
• Molecular Formular: C10H12F9I
• Molecular Mass: 430.0923788
• Monoisotopic Mass: 429.98400236
• SMILES: FC(C(C(C(F)(F)F)(F)CC(CCCC)I)(F)F)(F)F
• Canonical SMILES: CCCCC(CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F)I
• InChI: InChI=1S/C10H12F9I/c1-2-3-4-6(20)5-7(11,9(14,15)16)8(12,13)10(17,18)19/h6H,2-5H2,1H3
• InChIKey: YOEXYNDIPQDOLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane
• IUPAC Traditional name: 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane
• Synonyms: 1,1,1,2,2,3-Hexafluoro-3-(trifluoromethyl)-5-iodononane 97%

Database IDs

• MDL Number: MFCD00155867
• PubChem SID: 162084190
• PubChem CID: 2775062

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.031565
• LogD (pH = 7.4): 6.031565
• Log P: 6.031565
• Molar Refractivity: 62.3321 cm^3
• Polarizability: 23.760746 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant