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

• ChemBase ID: 6501
• Molecular Formular: C6H4F9I
• Molecular Mass: 373.9860588
• Monoisotopic Mass: 373.92140211
• SMILES: C(C(C(CCI)(C(F)(F)F)F)(F)F)(F)(F)F
• Canonical SMILES: ICCC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6H4F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H2
• InChIKey: AOJSNAHJSVDKPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00155868
• PubChem SID: 160969808
• PubChem CID: 2775064

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3071084
• LogD (pH = 7.4): 4.3071084
• Log P: 4.3071084
• Molar Refractivity: 44.1381 cm^3
• Polarizability: 17.122389 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%