1,1-difluoro-2-iodoethane

• ChemBase ID: 11987
• Molecular Formular: C2H3F2I
• Molecular Mass: 191.9464964
• Monoisotopic Mass: 191.92475454
• SMILES: C(CI)(F)F
• Canonical SMILES: ICC(F)F
• InChI: InChI=1S/C2H3F2I/c3-2(4)1-5/h2H,1H2
• InChIKey: VMFCTZUYOILUMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluoro-2-iodoethane
• IUPAC Traditional name: 1,1-difluoro-2-iodoethane
• Synonyms: 1,1-Difluoro-2-iodoethane; 2,2-Difluoroethyl iodide; 1,1-Difluoro-2-iodoethane 97%

Database IDs

• CAS Number: 598-39-0
• MDL Number: MFCD04038311
• PubChem SID: 160975294
• PubChem CID: 3833565

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5335146
• LogD (pH = 7.4): 1.5335146
• Log P: 1.5335146
• Molar Refractivity: 24.3693 cm^3
• Polarizability: 9.713173 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 86.8-87°C/740mm; 87°C
• Density: 2.18

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%