1,1,1,2-tetrafluoro-2-iodoethane

• ChemBase ID: 99238
• Molecular Formular: C2HF4I
• Molecular Mass: 227.9274228
• Monoisotopic Mass: 227.90591091
• SMILES: FC(F)(F)C(I)F
• Canonical SMILES: FC(C(F)(F)F)I
• InChI: InChI=1S/C2HF4I/c3-1(7)2(4,5)6/h1H
• InChIKey: JDAWHMRSFSKYTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrafluoro-2-iodoethane
• IUPAC Traditional name: 1,1,1,2-tetrafluoro-2-iodoethane
• Synonyms: 1-Iodo-1,2,2,2-tetrafluoroethane; 1,2,2,2-Tetrafluoroethyl iodide; 1-Iodo-1H-tetrafluoroethane 98%

Database IDs

• CAS Number: 3831-49-0
• MDL Number: MFCD00155949
• PubChem SID: 162085524
• PubChem CID: 2776659

CALCULATED PROPERTIES

• Acid pKa: 19.922043
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6494908
• LogD (pH = 7.4): 2.6494908
• Log P: 2.6494908
• Molar Refractivity: 24.5242 cm^3
• Polarizability: 9.971163 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold