1,1,1-trifluoro-5-iodopentane

• ChemBase ID: 15273
• Molecular Formular: C5H8F3I
• Molecular Mass: 252.0166996
• Monoisotopic Mass: 251.96228292
• SMILES: FC(CCCCI)(F)F
• Canonical SMILES: ICCCCC(F)(F)F
• InChI: InChI=1S/C5H8F3I/c6-5(7,8)3-1-2-4-9/h1-4H2
• InChIKey: MEEXEEFLZJDBEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-5-iodopentane
• IUPAC Traditional name: 1,1,1-trifluoro-5-iodopentane
• Synonyms: 5-Iodo-1,1,1-trifluoropentane

Database IDs

• CAS Number: 352-60-3
• MDL Number: MFCD06247810
• PubChem SID: 160978580
• PubChem CID: 2769660

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.410417
• LogD (pH = 7.4): 3.410417
• Log P: 3.410417
• Molar Refractivity: 38.8024 cm^3
• Polarizability: 14.884767 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%